Exact Mass: 164.1161

Exact Mass Matches: 164.1161

Found 500 metabolites which its exact mass value is equals to given mass value 164.1161, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one

2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- (8CI)

C11H16O (164.1201)


(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one is found in citrus. (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one occurs in peppermint oil, green tea and bergamot oranges (Citrus bergamia).Jasmone is a natural organic compound extracted from the volatile portion of the oil from jasmine flowers. It is a colorless to pale yellow liquid that has the odor of jasmine. Jasmone can exist in two isomeric forms with differing geometry around the pentenyl double bond, cis-jasmone and trans-jasmone. The natural extract contains only the cis form, while synthetic material is often a mixture containing both forms, with the cis form predominating. Both forms have similar odors and chemical properties. (Wikipedia Jasmone is a cyclic ketone. Jasmone is a natural product found in Lonicera japonica, Pulicaria arabica, and other organisms with data available. Occurs in peppermint oil, green tea and bergamot oranges (Citrus bergamia) Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1]. Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1].

   

4-Tert-Amylphenol

P-Tert-amylphenol, monopotassium salt

C11H16O (164.1201)


   

N,N-Dimethyl-N-phenylurea

N,N-Dimethyl-N-phenylurea

C9H12N2O (164.095)


CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6608; ORIGINAL_PRECURSOR_SCAN_NO 6607 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6615 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3111 CONFIDENCE standard compound; INTERNAL_ID 4045 CONFIDENCE standard compound; INTERNAL_ID 8425 CONFIDENCE standard compound; INTERNAL_ID 2611

   

p-Amylphenol

4-n-Pentylphenol

C11H16O (164.1201)


   

p-Isoamylphenol

4-Isopentylphenol

C11H16O (164.1201)


   

m-PEG3-OH

TRIETHYLENE GLYCOL MONOMETHYL ETHER

C7H16O4 (164.1049)


A hydroxypolyether that is the monomethyl ether derivative of triethylene glycol. Metabolite observed in cancer metabolism. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5

   

2-isopropyl-4-methyl anisole

2-Isopropyl-1-methoxy-4-methylbenzene

C11H16O (164.1201)


   

5-Phenyl-1-pentanol

1-Pentanol, 5-phenyl- (8ci)

C11H16O (164.1201)


5-Phenyl-1-pentanol is a flavouring ingredien Flavouring ingredient

   

1-Pyrimidinylpiperazine

1-(2-PYRIMIDINYL) PIPERAZINE

C8H12N4 (164.1062)


1-Pyrimidinylpiperazine is a metabolite of buspirone. Buspirone is an anxiolytic psychoactive drug of the azapirone chemical class, and is primarily used to treat generalized anxiety disorder (GAD) Bristol-Myers Squibb (BMS) gained FDA approval of buspirone in 1986 for treatment of GAD. The patent on Buspar by Bristol-Myers Squibb expired in 2001, and buspirone is available as a generic. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants

   

Triethylene Glycol Monomethyl Ether

2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol

C7H16O4 (164.1049)


Triethylene Glycol Monomethyl Ether, also known as 3,6,9-Trioxa-1-decanol or Methoxytriethylene glycol, is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). Triethylene Glycol Monomethyl Ether is considered to be soluble (in water) and relatively neutral

   

trans-Jasmone

2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (e)- (8ci)

C11H16O (164.1201)


trans-Jasmone is found in spearmint. Jasmone is a natural organic compound extracted from the volatile portion of the oil from jasmine flowers. It is a colorless to pale yellow liquid that has the odor of jasmine. Jasmone can exist in two isomeric forms with differing geometry around the pentenyl double bond, cis-jasmone and trans-jasmone. The natural extract contains only the cis form, while synthetic material is often a mixture containing both forms, with the cis form predominating. Both forms have similar odors and chemical properties. (Wikipedia Jasmone is a natural organic compound extracted from the volatile portion of the oil from jasmine flowers. It is a colorless to pale yellow liquid that has the odor of jasmine. Jasmone can exist in two isomeric forms with differing geometry around the pentenyl double bond, cis-jasmone and trans-jasmone. The natural extract contains only the cis form, while synthetic material is often a mixture containing both forms, with the cis form predominating. Both forms have similar odors and chemical properties. trans-Jasmone is found in spearmint. Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1]. Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1].

   

Santalone

1-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}ethan-1-one

C11H16O (164.1201)


Santalone is a flavouring ingredient. Santalone is a constituent of the oil of Santalum album (sandalwood). Flavouring ingredient. Constituent of the oil of Santalum album (sandalwood)

   

Norbicycloekasantalal

2-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}acetaldehyde

C11H16O (164.1201)


Norbicycloekasantalal is found in cereals and cereal products. Norbicycloekasantalal is a flavouring ingredient. Norbicycloekasantalal is a constituent of the famine food Santalum album (sandalwood). Flavouring ingredient. Constituent of the famine food Santalum album (sandalwood). Norbicycloekasantalal is found in cereals and cereal products.

   

Thymol methyl ether

2-Methoxy-4-methyl-1-(1-methylethyl)-benzene

C11H16O (164.1201)


Naturally occurring, e.g. in oil of sea fennel (Crithmum maritimum) and Citrus subspecies Thymol methyl ether is found in many foods, some of which are lime, sweet basil, pot marjoram, and herbs and spices. Thymol methyl ether is found in citrus. Naturally occurring, e.g. in oil of sea fennel (Crithmum maritimum) and Citrus specie

   

1-(1-Methoxy-1-methylethyl)-4-methylbenzene

1-(1-Methoxy-1-methylethyl)-4-methylbenzene

C11H16O (164.1201)


1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is isolated from lime (Citrus aurantifolia) oi Isolated from lime (Citrus aurantifolia) oil. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus and pepper (spice).

   

Trimethylpropylpyrazine

2-Propyl-3,5,6-trimethylpyrazine

C10H16N2 (164.1313)


Trimethylpropylpyrazine is found in cocoa and cocoa products. Trimethylpropylpyrazine is a maillard product. Trimethylpropylpyrazine is a constituent of cocoa volatiles. Maillard product. Constituent of cocoa volatiles. Trimethylpropylpyrazine is found in cocoa and cocoa products.

   

Norecasantalal

2-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}acetaldehyde

C11H16O (164.1201)


Norecasantalal is found in cereals and cereal products. Norecasantalal is a flavouring ingredient. Norecasantalal is a constituent from oil of the famine food Santalum album (sandalwood). Flavouring ingredient. Constituent from oil of the famine food Santalum album (sandalwood). Norecasantalal is found in cereals and cereal products.

   

Kynuramine

3-amino-1-(2-aminophenyl)propan-1-one

C9H12N2O (164.095)


Kynuramines are endogenously occurring diamines derived from tryptophan. [HMDB] Kynuramines are endogenously occurring diamines derived from tryptophan.

   

Benzyl butyl ether

(Butoxymethyl)benzene, 9ci

C11H16O (164.1201)


Benzyl butyl ether is found in mushrooms. Benzyl butyl ether is a constituent of the aroma of roasted cashew and some edible mushrooms. Benzyl butyl ether is a flavouring agent Constituent of the aroma of roasted cashew and some edible mushrooms. Flavouring agent. Benzyl butyl ether is found in mushrooms and nuts.

   

1-Phenyl-2-pentanol

alpha-Propyl-phenethyl alcohol

C11H16O (164.1201)


(±)-1-Phenyl-2-pentanol is a flavouring agent It is used as a food additive .

   

2-Methyl-4-phenyl-2-butanol

alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol

C11H16O (164.1201)


2-Methyl-4-phenyl-2-butanol is a flavouring ingredien Flavouring ingredient

   

2-Butyl-4-methylphenol

2-Butyl-4-methyl phenol

C11H16O (164.1201)


2-Butyl-4-methylphenol is an antioxidant for lar

   

2-(1,2-Diamino-1-propenyl)phenol

2-[(1Z)-1,2-diaminoprop-1-en-1-yl]phenol

C9H12N2O (164.095)


2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans. 2-(1,2-Diamino-1-propenyl)phenol is present in shrimp shell (Pandalus jordani) waste. Antioxidan Present in shrimp shell (Pandalus jordani) waste. Antioxidant. 2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans.

   

2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one

2-methyl-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-one

C11H16O (164.1201)


2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one is a flavouring ingredient. Flavouring ingredient

   

2,5-Diethyl-3,6-dimethylpyrazine

2,5-Diethyl-3,6-dimethylpyrazine

C10H16N2 (164.1313)


2,5-Diethyl-3,6-dimethylpyrazine is found in animal foods. 2,5-Diethyl-3,6-dimethylpyrazine is a constituent of cooked beef and roast coffee aroma. 2,5-Diethyl-3,6-dimethylpyrazine is a maillard product. Constituent of cooked beef and roast coffee aroma. Maillard product. 2,5-Diethyl-3,6-dimethylpyrazine is found in coffee and coffee products and animal foods.

   

2,3-Diethyl-5,6-dimethylpyrazine

2,3-Diethyl-5,6-dimethyl-pyrazine

C10H16N2 (164.1313)


2,3-Diethyl-5,6-dimethylpyrazine is found in coffee and coffee products. 2,3-Diethyl-5,6-dimethylpyrazine is a roast coffee aroma constituent. Roast coffee aroma constituent 2,3-Diethyl-5,6-dimethylpyrazine is found in coffee and coffee products.

   

2,6-Diethyl-3,5-dimethylpyrazine

2,6-Diethyl-3,5-dimethylpyrazine

C10H16N2 (164.1313)


2,6-Diethyl-3,5-dimethylpyrazine is found in coffee and coffee products. 2,6-Diethyl-3,5-dimethylpyrazine is a constituent of roast coffee aroma. 2,6-Diethyl-3,5-dimethylpyrazine is a maillard product. Constituent of roast coffee aroma. Maillard product. 2,6-Diethyl-3,5-dimethylpyrazine is found in coffee and coffee products.

   

Fenipentol

1-Phenyl-1-hydroxy-N-pentane

C11H16O (164.1201)


C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics

   

1,1,3,3-Tetramethoxypropane

propane, 1,1,3,3-tetramethoxy-

C7H16O4 (164.1049)


   

N,N,N',N'-Tetramethyl-P-phenylenediamine

N1,N1,N4,N4-tetramethylbenzene-1,4-diamine

C10H16N2 (164.1313)


   

2-Isopropyl-4,5-dimethylphenol

4,5-dimethyl-2-(propan-2-yl)phenol

C11H16O (164.1201)


   

5-Fluoromethylornithine

2,5-diamino-6-fluorohexanoic acid

C6H13FN2O2 (164.0961)


   

Bicyclo[3.1.1]hept-2-ene-2-acetaldehyde, 6,6-dimethyl-

2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}acetaldehyde

C11H16O (164.1201)


   

4-(2-Methylphenyl)butan-1-ol

4-(2-Methylphenyl)butan-1-ol

C11H16O (164.1201)


   

4-Morpholinopyridine

4-(pyridin-4-yl)morpholine

C9H12N2O (164.095)


   

2,2'-Azobis(2-methylpropionitrile)

2-[2-(1-cyano-1-methylethyl)diazen-1-yl]-2-methylpropanenitrile

C8H12N4 (164.1062)


   

N,N-Diethyl-P-phenylenediamine

N,N-Diethyl 4-phenylenediamine monohydrochloride

C10H16N2 (164.1313)


   

(S)-3-(Azetidin-2-ylmethoxy)pyridine

(S)-3-(Azetidin-2-ylmethoxy)pyridine

C9H12N2O (164.095)


   

3-Butyl-4-methylphenol

3-Butyl-4-methylphenol

C11H16O (164.1201)


   

Phenylalanine amide

Phenylalanine amide hydrochloride

C9H12N2O (164.095)


   

Tetra-methoxypropane

1,1,1,2-tetramethoxypropane

C7H16O4 (164.1049)


   

Piperidines

3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-ium

C6H14NO4+ (164.0923)


Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (‚ÄìCH2‚Äì) and one amine bridge (‚ÄìNH‚Äì). It is a colorless Liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids . Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (–CH2–) and one amine bridge (–NH–). It is a colorless liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids .

   

3,5- and 3,6-Dimethyl-2-isobutylpyrazine

3,5- and 3,6-Dimethyl-2-isobutylpyrazine

C10H16N2 (164.1313)


It is used as a food additive .

   

4-Isopropyl-2-methoxy-1-methylbenzene

2-methoxy-1-methyl-4-(propan-2-yl)benzene

C11H16O (164.1201)


4-isopropyl-2-methoxy-1-methylbenzene, also known as O-methylcarvacrol, is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 4-isopropyl-2-methoxy-1-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-isopropyl-2-methoxy-1-methylbenzene is a herbal, leafy, and spicy tasting compound and can be found in a number of food items such as common oregano, pepper (spice), winter savory, and summer savory, which makes 4-isopropyl-2-methoxy-1-methylbenzene a potential biomarker for the consumption of these food products. Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2]. Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].

   

Pentamethylphenol

Pentamethylphenol

C11H16O (164.1201)


   

2,5-Bis(1-methylethyl)pyrazine

2,5-Bis(1-methylethyl)pyrazine

C10H16N2 (164.1313)


   

Wursters blue

N,N,N,N-TETRAMETHYL-P-PHENYLENEDIAMINE

C10H16N2 (164.1313)


   

2-(Cyclopropylcarbonyl)-3-(dimethylamino)acrylonitrile

2-(Cyclopropylcarbonyl)-3-(dimethylamino)acrylonitrile

C9H12N2O (164.095)


   

5-Hydroxytryptamin

5-Hydroxytryptamin

C9H12N2O (164.095)


   

1-(2,4,6-trimethylphenyl)ethan-1-ol

1-(2,4,6-trimethylphenyl)ethan-1-ol

C11H16O (164.1201)


   

Hydrazide-3-Phenylpropanoic acid

Hydrazide-3-Phenylpropanoic acid

C9H12N2O (164.095)


   

3-Ethyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

3-Ethyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C10H16N2 (164.1313)


   

2-Isoamyl-6-methylpyrazine

2-Isoamyl-6-methylpyrazine

C10H16N2 (164.1313)


   

1,3,3-Trimethylbicyclo[2.2.2]oct-5-en-2-one

1,3,3-Trimethylbicyclo[2.2.2]oct-5-en-2-one

C11H16O (164.1201)


   

Actinidialactone

Actinidialactone

C11H16O (164.1201)


   

MS000093472

MS000093472

C10H16N2 (164.1313)


   

2-Butyl-3,5-dimethylpyrazine

2-Butyl-3,5-dimethylpyrazine

C10H16N2 (164.1313)


   

Carvacrol methyl ether

Carvacrol methyl ether

C11H16O (164.1201)


Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2]. Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].

   

Kynuramine

3-amino-1-(2-aminophenyl)propan-1-one

C9H12N2O (164.095)


A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.

   

(2E, 4E)-undeca-2,4,10-trienal|(2E,4E)-2,4,10-undecatrienal

(2E, 4E)-undeca-2,4,10-trienal|(2E,4E)-2,4,10-undecatrienal

C11H16O (164.1201)


   

4-tert-Butyl-2-methylphenol

4-tert-Butyl-2-methylphenol

C11H16O (164.1201)


   

(Z)-4-Ethyliden-3,5,5-trimethyl-2-cyclohexen-1-on|(Z)-4-Ethylidene-3,5,5-trimethylcyclohex-2-enone

(Z)-4-Ethyliden-3,5,5-trimethyl-2-cyclohexen-1-on|(Z)-4-Ethylidene-3,5,5-trimethylcyclohex-2-enone

C11H16O (164.1201)


   

2-Ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-Ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C10H16N2 (164.1313)


   

6-tert-Butyl-m-cresol

6-tert-Butyl-m-cresol

C11H16O (164.1201)


   

Tricycloekasantalal

Tricycloekasantalal

C11H16O (164.1201)


   

SCHEMBL12697298

SCHEMBL12697298

C11H16O (164.1201)


   

2-(1-ethylpropyl)phenol

2-(1-ethylpropyl)phenol

C11H16O (164.1201)


   

2-Methyl-6-(2-methylbutyl)pyrazine

2-Methyl-6-(2-methylbutyl)pyrazine

C10H16N2 (164.1313)


   

Triethylpyrazine

Triethylpyrazine

C10H16N2 (164.1313)


   

1-Phenyl-3-pentanol

1-Phenyl-3-pentanol

C11H16O (164.1201)


   

2,5-dimethyl-3-(2-methylpropyl)pyrazine

2,5-dimethyl-3-(2-methylpropyl)pyrazine

C10H16N2 (164.1313)


   

3,6-dihydronicotine

3,6-dihydronicotine

C10H16N2 (164.1313)


   

AI3-03441

Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-

C11H16O (164.1201)


Carvacrol methyl ether is a natural product found in Origanum syriacum, Origanum sipyleum, and other organisms with data available. Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2]. Carvacrol methyl ether, a Carvacrol analog, can be isolated from plant volatile oil. Carvacrol methyl ether exhibits antibacterial activity[1][2].

   

N,N-Dimethyl-N-phenylurea

Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N-phenyl-

C9H12N2O (164.095)


   

N-(3-Aminophenyl)propanamide

N-(3-Aminophenyl)propionamide

C9H12N2O (164.095)


CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6606; ORIGINAL_PRECURSOR_SCAN_NO 6604 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6633; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667

   

1-(2-Pyrimidyl)piperazine

1-(2-PYRIMIDINYL) PIPERAZINE

C8H12N4 (164.1062)


   

Isonicotinamide, 2-propyl-

Isonicotinamide, 2-propyl-

C9H12N2O (164.095)


   

Poloxalene

Poloxalene

C7H16O4 (164.1049)


   

TMPD (hydrochloride)

N,N,N,N-tetramethyl-1,4-benzenediamine, dihydrochloride

C10H16N2 (164.1313)


   

2,4,6-undecatrienal

2,4,6-undecatrienal

C11H16O (164.1201)


   

8-Methoxy-P-cymene

1-(1-Methoxy-1-methylethyl)-4-methylbenzene

C11H16O (164.1201)


   

Butoxy toluene

(Butoxymethyl)benzene, 9ci

C11H16O (164.1201)


   

trans-Jasmone

2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (e)- (8ci)

C11H16O (164.1201)


   

Phenylpentanol

1-Pentanol, 5-phenyl- (8ci)

C11H16O (164.1201)


   

Benzylbutyl alcohol

alpha-Propyl-phenethyl alcohol

C11H16O (164.1201)


   

FEMA 3629

alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol

C11H16O (164.1201)


   

Butyl-p-cresol

2-Butyl-4-methyl phenol

C11H16O (164.1201)


   

2-(1,2-Diamino-1-propenyl)phenol

2-[(1Z)-1,2-diaminoprop-1-en-1-yl]phenol

C9H12N2O (164.095)


   

Methylthymol

2-Methoxy-4-methyl-1-(1-methylethyl)-benzene

C11H16O (164.1201)


   

Norbicycloekasantalal

2-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}acetaldehyde

C11H16O (164.1201)


   

Santalone

1-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}ethan-1-one

C11H16O (164.1201)


   

Norecasantalal

2-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}acetaldehyde

C11H16O (164.1201)


   

Isojasmone

2-methyl-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-one

C11H16O (164.1201)


   

2,5-Diethyl-3,6-dimethylpyrazine

2,5-Diethyl-3,6-dimethylpyrazine

C10H16N2 (164.1313)


   

2,3-Diethyl-5,6-dimethylpyrazine

2,3-Diethyl-5,6-dimethyl-pyrazine

C10H16N2 (164.1313)


   

2,6-Diethyl-3,5-dimethylpyrazine

2,6-Diethyl-3,5-dimethylpyrazine

C10H16N2 (164.1313)


   

trimethylpropylpyrazine

2-Propyl-3,5,6-trimethylpyrazine

C10H16N2 (164.1313)


   

FAL 11:3

2,4,6-undecatrienal

C11H16O (164.1201)


   

2-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-8-ylamine

2-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-8-ylamine

C9H12N2O (164.095)


   

Tetraethylammonium hydrogen sulfide

Tetraethylammonium hydrogen sulfide

C8H22NS (164.1473)


   

2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

C8H12N4 (164.1062)


   

2-tert-Amylphenol

2-tert-Amylphenol

C11H16O (164.1201)


   

Urea,N-ethyl-N-phenyl-

Urea,N-ethyl-N-phenyl-

C9H12N2O (164.095)


   

Propanoic acid,2-phenylhydrazide

Propanoic acid,2-phenylhydrazide

C9H12N2O (164.095)


   

3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL

3-(2,4-DIMETHYL-PHENYL)-PROPAN-1-OL

C11H16O (164.1201)


   

(4-IODOPHENYLETHYNYL)TRIMETHYLSILANE

(4-IODOPHENYLETHYNYL)TRIMETHYLSILANE

C10H16N2 (164.1313)


   

Benzene, 1-fluoro-4-(1E)-1-pentenyl- (9CI)

Benzene, 1-fluoro-4-(1E)-1-pentenyl- (9CI)

C11H13F (164.1001)


   

5-sec-butyl-2,3-dimethyl pyrazine

5-sec-butyl-2,3-dimethyl pyrazine

C10H16N2 (164.1313)


   

N-(4-Aminophenyl)propanamide

N-(4-Aminophenyl)propanamide

C9H12N2O (164.095)


   

1-Adamantanecarbaldehyde

1-Adamantanecarbaldehyde

C11H16O (164.1201)


   

4-ACETAMIDOBENZYLAMINE

4-ACETAMIDOBENZYLAMINE

C9H12N2O (164.095)


   

Phenol,2-(1-methylbutyl)-

Phenol,2-(1-methylbutyl)-

C11H16O (164.1201)


   

2,2-Dimethyl-3-phenyl-1-propanol

2,2-Dimethyl-3-phenyl-1-propanol

C11H16O (164.1201)


   

CHEMBRDG-BB 9071496

CHEMBRDG-BB 9071496

C10H16N2 (164.1313)


   

2-EPOXYMETHYLENEADAMANTANE

2-EPOXYMETHYLENEADAMANTANE

C11H16O (164.1201)


   

PHENETHYLUREA

PHENETHYLUREA

C9H12N2O (164.095)


   

1-(PYRAZIN-2-YL)PENTAN-1-ONE

1-(PYRAZIN-2-YL)PENTAN-1-ONE

C9H12N2O (164.095)


   

2-hexylpyrazine

2-hexylpyrazine

C10H16N2 (164.1313)


   

2-PYRIDIN-4-YL-ACETIMIDIC ACID ETHYL ESTER

2-PYRIDIN-4-YL-ACETIMIDIC ACID ETHYL ESTER

C9H12N2O (164.095)


   

Pyrido[3,4-b]pyrazin-3-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

Pyrido[3,4-b]pyrazin-3-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

C8H12N4 (164.1062)


   

Pyrido[3,4-b]pyrazin-2-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

Pyrido[3,4-b]pyrazin-2-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

C8H12N4 (164.1062)


   

(4-isobutylphenyl)Methanol

(4-isobutylphenyl)Methanol

C11H16O (164.1201)


   

2-Pyridinemethanamine,N,N-diethyl-

2-Pyridinemethanamine,N,N-diethyl-

C10H16N2 (164.1313)


   

2-(3-aminophenyl)-N-methylacetamide(SALTDATA: FREE)

2-(3-aminophenyl)-N-methylacetamide(SALTDATA: FREE)

C9H12N2O (164.095)


   

cumin carbinol

cumin carbinol

C11H16O (164.1201)


   

2-Methyl-1-phenylbutan-2-ol

Benzeneethanol, a-ethyl-a-methyl-

C11H16O (164.1201)


   

(2,3,5,6-tetramethylphenyl)methanol

(2,3,5,6-tetramethylphenyl)methanol

C11H16O (164.1201)


   

3-Pentylphenol

3-Pentylphenol

C11H16O (164.1201)


   

1-tert-butyl-3-methoxybenzene

1-tert-butyl-3-methoxybenzene

C11H16O (164.1201)


   

2,4-Dimethylbenzohydrazide

2,4-Dimethylbenzohydrazide

C9H12N2O (164.095)


   

N-(3-amino-2-methylphenyl)acetamide

N-(3-amino-2-methylphenyl)acetamide

C9H12N2O (164.095)


   

3-Acetylnoradamantane

3-Acetylnoradamantane

C11H16O (164.1201)


   

Benzenemethanamine,N,2-dimethyl-N-nitroso-

Benzenemethanamine,N,2-dimethyl-N-nitroso-

C9H12N2O (164.095)


   

DL-Lysine monohydrate

DL-Lysine monohydrate

C6H16N2O3 (164.1161)


   

N-CYCLOPROPYL-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

N-CYCLOPROPYL-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

C9H12N2O (164.095)


   

3-pyridin-4-ylmorpholine

3-pyridin-4-ylmorpholine

C9H12N2O (164.095)


   

(2H8)-2,2-Bipyridine

(2H8)-2,2-Bipyridine

C10D8N2 (164.119)


   

(2,4,6-trimethylphenyl)methylhydrazine

(2,4,6-trimethylphenyl)methylhydrazine

C10H16N2 (164.1313)


   

2-Adamantanecarboxaldehyde

2-Adamantanecarboxaldehyde

C11H16O (164.1201)


   

n-(4-amino-benzyl)-acetamide

n-(4-amino-benzyl)-acetamide

C9H12N2O (164.095)


   

N1-BENZYL-N1-METHYLETHANE-1,2-DIAMINE

N1-BENZYL-N1-METHYLETHANE-1,2-DIAMINE

C10H16N2 (164.1313)


   

2-(P-DIMETHYLAMINOPHENYL)ETHYLAMINE

2-(P-DIMETHYLAMINOPHENYL)ETHYLAMINE

C10H16N2 (164.1313)


   

3,5-Dimethylbenzohydrazide

3,5-Dimethylbenzohydrazide

C9H12N2O (164.095)


   

(S)-2-AMINO-3-O-TOLYL-PROPIONICACIDETHYLESTER

(S)-2-AMINO-3-O-TOLYL-PROPIONICACIDETHYLESTER

C10H16N2 (164.1313)


   

2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-7-ol

2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-7-ol

C9H12N2O (164.095)


   

2-(2-(DIMETHYLAMINO)ETHYL)ANILINE

2-(2-(DIMETHYLAMINO)ETHYL)ANILINE

C10H16N2 (164.1313)


   

2-PYRIDIN-2-YL-ACETIMIDIC ACID ETHYL ESTER

2-PYRIDIN-2-YL-ACETIMIDIC ACID ETHYL ESTER

C9H12N2O (164.095)


   

(2,4,5-TRIMETHYLPHENYL)BORONIC ACID

(2,4,5-TRIMETHYLPHENYL)BORONIC ACID

C9H13BO2 (164.1009)


   

4,4-DIFLUOROAMINOETHYLPIPERIDINE

4,4-DIFLUOROAMINOETHYLPIPERIDINE

C7H14F2N2 (164.1125)


   

4-butylbenzene-1,2-diamine

4-butylbenzene-1,2-diamine

C10H16N2 (164.1313)


   

(R)(+)-α-Phenethylurea

(R)(+)-α-Phenethylurea

C9H12N2O (164.095)


   

(1-METHYLPIPERIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE

(1-METHYLPIPERIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE

C7H17ClN2 (164.108)


   

2-ETHYL-N-HYDROXY-BENZAMIDINE

2-ETHYL-N-HYDROXY-BENZAMIDINE

C9H12N2O (164.095)


   

3-phenylpropylboronic acid

3-phenylpropylboronic acid

C9H13BO2 (164.1009)


   

2-tert-butylpyrimidine-5-carbaldehyde

2-tert-butylpyrimidine-5-carbaldehyde

C9H12N2O (164.095)


   

5-Isobutyl-2,3-dimethylpyrazine

5-Isobutyl-2,3-dimethylpyrazine

C10H16N2 (164.1313)


   

2H-1,4-Benzoxazine-3-methanamine,3,4-dihydro-

2H-1,4-Benzoxazine-3-methanamine,3,4-dihydro-

C9H12N2O (164.095)


   

(S)-(+)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

(S)-(+)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

C11H16O (164.1201)


   

4-Propoxybenzaldehyde

4-Propoxybenzaldehyde

C10H12O2 (164.0837)


   

2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-9-methyl-

2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-9-methyl-

C9H12N2O (164.095)


   

3-Amino-N,2-dimethylbenzamide

3-Amino-N,2-dimethylbenzamide

C9H12N2O (164.095)


   

3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C8H12N4 (164.1062)


   

3-phenoxybutan-2-one

3-phenoxybutan-2-one

C10H12O2 (164.0837)


   

N,N-Diethyl-1,2-Benzenediamine

N,N-Diethyl-1,2-Benzenediamine

C10H16N2 (164.1313)


   

4-(AMINOMETHYL)-N-METHYLBENZAMIDE

4-(AMINOMETHYL)-N-METHYLBENZAMIDE

C9H12N2O (164.095)


   

2-methyl-N-phenyl-propane-1,2-diamine

2-methyl-N-phenyl-propane-1,2-diamine

C10H16N2 (164.1313)


   

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-

C9H12N2O (164.095)


   

N-(3-Amino-4-methylphenyl)acetamide

N-(3-Amino-4-methylphenyl)acetamide

C9H12N2O (164.095)


   

N-((2S)-2-Amino-2-phenylethyl)-N,N-dimethylamine

N-((2S)-2-Amino-2-phenylethyl)-N,N-dimethylamine

C10H16N2 (164.1313)


   

Benzyl Glycidyl Ether

Benzyl Glycidyl Ether

C10H12O2 (164.0837)


   

N-(3,4-DIMETHYLPHENYL)UREA

N-(3,4-DIMETHYLPHENYL)UREA

C9H12N2O (164.095)


   

8-Methyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

8-Methyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

C9H12N2O (164.095)


   

2-(PYRROLIDIN-3-YLOXY)PYRIDINE

2-(PYRROLIDIN-3-YLOXY)PYRIDINE

C9H12N2O (164.095)


   

4-amino-N,N-dimethylbenzamide

4-amino-N,N-dimethylbenzamide

C9H12N2O (164.095)


   
   

N-(3-aminomethyl-phenyl)-acetamide

N-(3-aminomethyl-phenyl)-acetamide

C9H12N2O (164.095)


   

Benzoic acid, 4-ethyl-,hydrazide

Benzoic acid, 4-ethyl-,hydrazide

C9H12N2O (164.095)


   

1-pyridin-4-ylpyrrolidin-3-ol

1-pyridin-4-ylpyrrolidin-3-ol

C9H12N2O (164.095)


   

3-methoxy-3-phenyloxetane

3-methoxy-3-phenyloxetane

C10H12O2 (164.0837)


   

N,N-Diethyl-6-methyl-2-pyridinamine

N,N-Diethyl-6-methyl-2-pyridinamine

C10H16N2 (164.1313)


   

Benzenemethanamine, 3-(dimethylamino)-alpha-methyl- (9CI)

Benzenemethanamine, 3-(dimethylamino)-alpha-methyl- (9CI)

C10H16N2 (164.1313)


   

2-(2-methylprop-2-enoxy)phenol

2-(2-methylprop-2-enoxy)phenol

C10H12O2 (164.0837)


   

α-isodurylic acid

α-isodurylic acid

C10H12O2 (164.0837)


   

2-Propylbenzoic acid

2-Propylbenzoic acid

C10H12O2 (164.0837)


   

2-ISOPROPYLISONICOTINAMIDE

2-ISOPROPYLISONICOTINAMIDE

C9H12N2O (164.095)


   

(1R,2R)-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediol

(1R,2R)-trans-1,2,3,4-Tetrahydro-1,2-naphthalenediol

C10H12O2 (164.0837)


   

2,3-DIMETHYL-PARA-ANISALDEHYDE

2,3-DIMETHYL-PARA-ANISALDEHYDE

C10H12O2 (164.0837)


   

(+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene

(+)-cis-1(R),2(S)-1,2-Dihydroxy-1,2,3,4-tetrahydronaphthalene

C10H12O2 (164.0837)


   

2-(benzylamino)acetamide

2-(benzylamino)acetamide

C9H12N2O (164.095)


   

(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

C10H12O2 (164.0837)


   

(R)-2-AMINO-1-(3-CHLOROPHENYL)ETHANOLHYDROCHLORIDE

(R)-2-AMINO-1-(3-CHLOROPHENYL)ETHANOLHYDROCHLORIDE

C10H16N2 (164.1313)


   

3-Piperazin-1-yl-pyridazine

3-Piperazin-1-yl-pyridazine

C8H12N4 (164.1062)


   

n-(pyridin-3-ylmethyl)butan-1-amine

n-(pyridin-3-ylmethyl)butan-1-amine

C10H16N2 (164.1313)


   

Mesitylboronic acid

Mesitylboronic acid

C9H13BO2 (164.1009)


   

3-methyl-1-pyridin-3-ylbutan-1-amine

3-methyl-1-pyridin-3-ylbutan-1-amine

C10H16N2 (164.1313)


   

4-(3-hydroxypropyl)benzaldehyde

4-(3-hydroxypropyl)benzaldehyde

C10H12O2 (164.0837)


   

H-Phe-NH2

Phenylalanine amide

C9H12N2O (164.095)


   

1-Cyclopentyl-1H-pyrazole-4-carbaldehyde

1-Cyclopentyl-1H-pyrazole-4-carbaldehyde

C9H12N2O (164.095)


   

Benzaldehyde,3-hydroxy-4-(1-methylethyl)- (9ci)

Benzaldehyde,3-hydroxy-4-(1-methylethyl)- (9ci)

C10H12O2 (164.0837)


   

4-ethoxybenzenecarboximidamide

4-ethoxybenzenecarboximidamide

C9H12N2O (164.095)


   

2-mthoxy-5,6,7,8-tetrahydro-[1,6]naphthyridine

2-mthoxy-5,6,7,8-tetrahydro-[1,6]naphthyridine

C9H12N2O (164.095)


   

3,4,5-trimethylbenzoic acid

3,4,5-trimethylbenzoic acid

C10H12O2 (164.0837)


   

2-butylcyclohexa-2,5-diene-1,4-dione

2-butylcyclohexa-2,5-diene-1,4-dione

C10H12O2 (164.0837)


   

5-methyl-3,4-dihydro-2H-chromen-4-ol

5-methyl-3,4-dihydro-2H-chromen-4-ol

C10H12O2 (164.0837)


   

Benzenemethanol, a-(1,1-dimethylethyl)-

Benzenemethanol, a-(1,1-dimethylethyl)-

C11H16O (164.1201)


   

(R)-(-)-Benzyl glycidyl ether

(R)-(-)-Benzyl glycidyl ether

C10H12O2 (164.0837)


   

2,2-Azobis(2-methylpropionitrile)

2,2-Azobis(2-methylpropionitrile)

C8H12N4 (164.1062)


   

Benzyltrimethylsilane

Benzyl(trimethyl)silane

C10H16Si (164.1021)


   

Cresyl glycidyl ether

Cresyl glycidyl ether

C10H12O2 (164.0837)


   

4-tert-Butyl-1,2-diaminobenzene

4-tert-Butyl-1,2-diaminobenzene

C10H16N2 (164.1313)


   

Phenol, 4-ethyl-,1-acetate

Phenol, 4-ethyl-,1-acetate

C10H12O2 (164.0837)


   

n-(3-aminopropyl)-n-methylaniline

n-(3-aminopropyl)-n-methylaniline

C10H16N2 (164.1313)


   

tert-butyl 4-methylphenyl ether

tert-butyl 4-methylphenyl ether

C11H16O (164.1201)


   

(4-butylphenyl)methanol

(4-butylphenyl)methanol

C11H16O (164.1201)


   

3-Amino-N-Ethylbenzamide

3-Amino-N-Ethylbenzamide

C9H12N2O (164.095)


   

3-(aminomethyl)-N-methylbenzamide(SALTDATA: HCl)

3-(aminomethyl)-N-methylbenzamide(SALTDATA: HCl)

C9H12N2O (164.095)


   

4-(2-amino-2-methyl-propyl)aniline

4-(2-amino-2-methyl-propyl)aniline

C10H16N2 (164.1313)


   

Oxirane,2-[(4-methylphenoxy)methyl]-

Oxirane,2-[(4-methylphenoxy)methyl]-

C10H12O2 (164.0837)


   

2-Amino-N-ethylbenzamide

2-Amino-N-ethylbenzamide

C9H12N2O (164.095)


   

Methyl p-tolylacetate

4-Methylbenzyl acetate

C10H12O2 (164.0837)


   

N-[2-(AMINOMETHYL)BENZYL]-N,N-DIMETHYLAMINE

N-[2-(AMINOMETHYL)BENZYL]-N,N-DIMETHYLAMINE

C10H16N2 (164.1313)


   

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

C10H12O2 (164.0837)


   

4-(Piperazin-1-yl)pyrimidine

4-(Piperazin-1-yl)pyrimidine

C8H12N4 (164.1062)


   

4-(Dimethylamino)benzamide

4-(Dimethylamino)benzamide

C9H12N2O (164.095)


   

4-methoxy-2-methylacetophenone

4-methoxy-2-methylacetophenone

C10H12O2 (164.0837)


   

carbofuran phenol

2,3-Dihydro-2,2-dimethyl-7-benzofuranol

C10H12O2 (164.0837)


   

N-(2-Aminoethyl)benzamide

N-(2-Aminoethyl)benzamide

C9H12N2O (164.095)


   

N-(5-Amino-2-methylphenyl)acetamide

N-(5-Amino-2-methylphenyl)acetamide

C9H12N2O (164.095)


   

Benzenemethanamine, 5-amino-N,N,2-trimethyl- (9CI)

Benzenemethanamine, 5-amino-N,N,2-trimethyl- (9CI)

C10H16N2 (164.1313)


   

3-methyl-1-pyrazin-2-ylbutan-1-one

3-methyl-1-pyrazin-2-ylbutan-1-one

C9H12N2O (164.095)


   

(3,4-Dimethylphenyl)acetic acid

(3,4-Dimethylphenyl)acetic acid

C10H12O2 (164.0837)


   

methyl 2,4-dimethylbenzoate

methyl 2,4-dimethylbenzoate

C10H12O2 (164.0837)


   

N-[4-(Aminomethyl)phenyl]-guanidine

N-[4-(Aminomethyl)phenyl]-guanidine

C8H12N4 (164.1062)


   

2-((Benzyloxy)methyl)oxirane

2-((Benzyloxy)methyl)oxirane

C10H12O2 (164.0837)


   

(2,3-Dimethylphenyl)acetic acid

(2,3-Dimethylphenyl)acetic acid

C10H12O2 (164.0837)


   

1-(4-Hydroxyphenyl)butan-1-one

1-(4-Hydroxyphenyl)butan-1-one

C10H12O2 (164.0837)


   

3-(PHENYLAMINO)PROPANAMIDE

3-(PHENYLAMINO)PROPANAMIDE

C9H12N2O (164.095)


   

N1-Benzylpropane-1,3-diamine

N1-Benzylpropane-1,3-diamine

C10H16N2 (164.1313)


   

3,4-dihydro-2h-chromen-3-ylmethanol

3,4-dihydro-2h-chromen-3-ylmethanol

C10H12O2 (164.0837)


   

3,4-Dihydro-2H-chromen-2-yl methanol

3,4-Dihydro-2H-chromen-2-yl methanol

C10H12O2 (164.0837)


   

(r)-(-)-2-phenylbutyric acid

(r)-(-)-2-phenylbutyric acid

C10H12O2 (164.0837)


   

(Cyclohexylmethyl)hydrazine hydrochloride (1:1)

(Cyclohexylmethyl)hydrazine hydrochloride (1:1)

C7H17ClN2 (164.108)


   

2-ETHOXY-BENZAMIDINE

2-ETHOXY-BENZAMIDINE

C9H12N2O (164.095)


   

2-Mesitylethanol

2-Mesitylethanol

C11H16O (164.1201)


   

(2R)-2-phenylpentan-2-ol

(2R)-2-phenylpentan-2-ol

C11H16O (164.1201)


   

4-(PYRROLIDIN-3-YLOXY)-PYRIDINE

4-(PYRROLIDIN-3-YLOXY)-PYRIDINE

C9H12N2O (164.095)


   

Ethyl 4-methylbenzoate

Ethyl 4-methylbenzoate

C10H12O2 (164.0837)


   

2-Propanone,1-(3-methylphenoxy)-

2-Propanone,1-(3-methylphenoxy)-

C10H12O2 (164.0837)


   

2-ACETYLAMINO-4,5-DIMETHYLPYRIDINE

2-ACETYLAMINO-4,5-DIMETHYLPYRIDINE

C9H12N2O (164.095)


   

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1-methyl-

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1-methyl-

C11H16O (164.1201)


   

(2H10)-1,2-Dihydroacenaphthylene

(2H10)-1,2-Dihydroacenaphthylene

C12D10 (164.141)


   

3,5-DIAMINO-TERT-BUTYLBENZENE

3,5-DIAMINO-TERT-BUTYLBENZENE

C10H16N2 (164.1313)


   

2,3,5,6-Tetramethyl-1,4-benzenediamine

2,3,5,6-Tetramethyl-1,4-phenylenediamine

C10H16N2 (164.1313)


   

N-(1,2-Dimethylpropyl)-2-pyridinamine

N-(1,2-Dimethylpropyl)-2-pyridinamine

C10H16N2 (164.1313)


   

1-(2-HYDROXYPHENYL)PROPAN-1-ONEOXIME

1-(2-HYDROXYPHENYL)PROPAN-1-ONEOXIME

C10H12O2 (164.0837)


   

6-METHOXY-ISOCHROMAN

6-METHOXY-ISOCHROMAN

C10H12O2 (164.0837)


   

(R)-4-(1-AMINOETHYL)BENZAMIDE

(R)-4-(1-AMINOETHYL)BENZAMIDE

C9H12N2O (164.095)


   

(R)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

(R)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

C9H12N2O (164.095)


   

2-HYDROXY-5-ISOPROPYL-BENZALDEHYDE

2-HYDROXY-5-ISOPROPYL-BENZALDEHYDE

C10H12O2 (164.0837)


   

4-isopropoxybenzaldehyde

4-isopropoxybenzaldehyde

C10H12O2 (164.0837)


ALDH1A3-IN-3 (compound 16) is a potent inhibitor of ALDH1A3, with an IC50 of 0.26 μM. ALDH1A3-IN-3 is also a good ALDH3A1 substrate. ALDH1A3-IN-3 can be used for the research of prostate cancer[1].

   

2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine

2-methyl-2-(6-methylpyridin-2-yl)propan-1-amine

C10H16N2 (164.1313)


   

1-methoxy-3,4-dihydro-1H-isochromene

1-methoxy-3,4-dihydro-1H-isochromene

C10H12O2 (164.0837)


   

(4-Propylphenyl)boronic acid

(4-Propylphenyl)boronic acid

C9H13BO2 (164.1009)


   

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

C10H12O2 (164.0837)


   

2-tert-Butyl-4-methylphenol

2-tert-Butyl-4-methylphenol

C11H16O (164.1201)


   

2-Hydroxy-2-methylpropiophenone

2-Hydroxy-2-methyl propiophenone

C10H12O2 (164.0837)


   

4-Methoxy-3,5-dimethylbenzaldehyde

4-Methoxy-3,5-dimethylbenzaldehyde

C10H12O2 (164.0837)


   

Benzenemethanamine, 4-(dimethylamino)-α-methyl-, (R)- (9CI)

Benzenemethanamine, 4-(dimethylamino)-α-methyl-, (R)- (9CI)

C10H16N2 (164.1313)


   

2-amino-1-p-tolyl-ethanone oxime

2-amino-1-p-tolyl-ethanone oxime

C9H12N2O (164.095)


   

3-(Benzyloxy)propanal

3-(Benzyloxy)propanal

C10H12O2 (164.0837)


   

5-AMINO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBONITRILE

5-AMINO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBONITRILE

C8H12N4 (164.1062)


   

L(+)-Lysine monohydrate

L(+)-Lysine monohydrate

C6H16N2O3 (164.1161)


L-Lysine hydrate is an essential amino acid. L-Lysine hydrate can be research for vascular calcification (VC) and acute pancreatitis[1][2].

   

5-(1-Piperazinyl)pyrimidine

5-(1-Piperazinyl)pyrimidine

C8H12N4 (164.1062)


   

4-Amino-N-ethylbenzamide

4-Amino-N-ethylbenzamide

C9H12N2O (164.095)


   

Benzaldehyde, 4-ethoxy-2-Methyl-

Benzaldehyde, 4-ethoxy-2-Methyl-

C10H12O2 (164.0837)


   

1,3-Diethyl-1,5,6,7-tetrahydroindazol-4-one

1,3-Diethyl-1,5,6,7-tetrahydroindazol-4-one

C9H12N2O (164.095)


   

(S)-N,N-Dimethyl(pyrrolidin-2-yl)Methanamine HCl

(S)-N,N-Dimethyl(pyrrolidin-2-yl)Methanamine HCl

C7H17ClN2 (164.108)


   

(3-Phenyloxetan-3-yl)methanol

(3-Phenyloxetan-3-yl)methanol

C10H12O2 (164.0837)


   

7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE

7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE

C10H12O2 (164.0837)


   

(S)-Hajos dione

(S)-Hajos dione

C10H12O2 (164.0837)


   

1-(3-Methoxy-5-methylphenyl)ethanone

1-(3-Methoxy-5-methylphenyl)ethanone

C10H12O2 (164.0837)


   

2-AMINO-3-PYRROLIDIN-1-YLPYRAZINE

2-AMINO-3-PYRROLIDIN-1-YLPYRAZINE

C8H12N4 (164.1062)


   

3-(3-PYRROLIDINYLOXY)PYRIDINE

3-(3-PYRROLIDINYLOXY)PYRIDINE

C9H12N2O (164.095)


   

3-HYDROXY-1-PHENYLBUTAN-2-ONE

3-HYDROXY-1-PHENYLBUTAN-2-ONE

C10H12O2 (164.0837)


   

2,2-DIMETHYL-1-(PYRIMIDIN-5-YL)PROPAN-1-ONE

2,2-DIMETHYL-1-(PYRIMIDIN-5-YL)PROPAN-1-ONE

C9H12N2O (164.095)


   

N-cyclopropyl-4-methoxypyridin-2-amine

N-cyclopropyl-4-methoxypyridin-2-amine

C9H12N2O (164.095)


   

chrysanthemum carbaldehyde

chrysanthemum carbaldehyde

C11H16O (164.1201)


   

tropical indene

tropical indene

C11H16O (164.1201)


   

phenethyl isopropyl ether

(2-Isopropoxyethyl)benzene

C11H16O (164.1201)


   

N-[4-(methylamino)phenyl]acetamide

N-[4-(methylamino)phenyl]acetamide

C9H12N2O (164.095)


   

2-BUTYLPHENYLHYDRAZINE

2-BUTYLPHENYLHYDRAZINE

C10H16N2 (164.1313)


   

1-(4-ethyl-2-hydroxyphenyl)ethanone

1-(4-ethyl-2-hydroxyphenyl)ethanone

C10H12O2 (164.0837)


   

(2-tert-butylphenyl)methanol

(2-tert-butylphenyl)methanol

C11H16O (164.1201)


   

N,N-Diethyl-P-phenylenediamine

N,N-Diethyl-1,4-phenylenediamine

C10H16N2 (164.1313)


   

dimethyl(2-phenylethyl)silicon

dimethyl(2-phenylethyl)silicon

C10H16Si (164.1021)


   

Methyl (2-methylphenyl)acetate

Methyl (2-methylphenyl)acetate

C10H12O2 (164.0837)


   

3,5-Dimethylphenylacetic acid

3,5-Dimethylphenylacetic acid

C10H12O2 (164.0837)


   

2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile

2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile

C8H12N4 (164.1062)


   

4-(1-Amino-2-methylpropan-2-yl)aniline

4-(1-Amino-2-methylpropan-2-yl)aniline

C10H16N2 (164.1313)


   

N-butylpyridine-2-methylamine

N-butylpyridine-2-methylamine

C10H16N2 (164.1313)


   

1-Azabicyclo[4.4.0]decane-3-carbonitrile

1-Azabicyclo[4.4.0]decane-3-carbonitrile

C10H16N2 (164.1313)


   

4-(2,2-DIMETHYLPROPYL)-PHENOL

4-(2,2-DIMETHYLPROPYL)-PHENOL

C11H16O (164.1201)


   

(3-Isopropylphenyl)boronic acid

(3-Isopropylphenyl)boronic acid

C9H13BO2 (164.1009)


   

1-ISOPROPYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE

1-ISOPROPYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE

C10H16N2 (164.1313)


   

1-ETHYL-6-METHYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE

1-ETHYL-6-METHYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE

C10H16N2 (164.1313)


   

(S)-4-(1-aminoethyl)-N,N-dimethylaniline

(S)-4-(1-aminoethyl)-N,N-dimethylaniline

C10H16N2 (164.1313)


   

Pyrazine,5-butyl-2,3-dimethyl-

Pyrazine,5-butyl-2,3-dimethyl-

C10H16N2 (164.1313)


   

1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE

1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE

C9H12N2O (164.095)


   

2-Amino-6-ethylbenzamide

2-Amino-6-ethylbenzamide

C9H12N2O (164.095)


   

1-[2-(2-fluoroethoxy)ethoxy]butane

1-[2-(2-fluoroethoxy)ethoxy]butane

C8H17FO2 (164.1213)


   

4-methyl-2,3-dihydro-1,4-benzoxazin-7-amine

4-methyl-2,3-dihydro-1,4-benzoxazin-7-amine

C9H12N2O (164.095)


   

2-AMINO-N,N-DIMETHYLBENZAMIDE

2-AMINO-N,N-DIMETHYLBENZAMIDE

C9H12N2O (164.095)


   

n-(pyridin-4-ylmethyl)butan-1-amine

n-(pyridin-4-ylmethyl)butan-1-amine

C10H16N2 (164.1313)


   

(2-Isopropylphenyl)boronic acid

(2-Isopropylphenyl)boronic acid

C9H13BO2 (164.1009)


   

1-PROPYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]-PYRAZINE

1-PROPYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]-PYRAZINE

C10H16N2 (164.1313)


   

(2,2,6,6-2H4)Heptanedioic acid

(2,2,6,6-2H4)Heptanedioic acid

C7H8D4O4 (164.0987)


   

Trans-N,N-dimethyl-1,2-cyclopentanediamine dihydrochloride

Trans-N,N-dimethyl-1,2-cyclopentanediamine dihydrochloride

C7H17ClN2 (164.108)


   

(R)-(-)-1,1-DIPHENYL-2-PROPANOL

(R)-(-)-1,1-DIPHENYL-2-PROPANOL

C11H16O (164.1201)


   

N1,N1-Dimethyl-1-phenyl-1,2-ethanediamine

N1,N1-Dimethyl-1-phenyl-1,2-ethanediamine

C10H16N2 (164.1313)


   

(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE

(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE

C10H16N2 (164.1313)


   

1-[3-(Aminomethyl)Phenyl]-N,N-Dimethylmethanamine

1-[3-(Aminomethyl)Phenyl]-N,N-Dimethylmethanamine

C10H16N2 (164.1313)


   

Benzenemethanol, a,a-diethyl-

Benzenemethanol, a,a-diethyl-

C11H16O (164.1201)


   

4-tert-butyl-phenyl-hydrazine

4-tert-butyl-phenyl-hydrazine

C10H16N2 (164.1313)


   

3-PYRIDIN-3-YL MORPHOLINE

3-PYRIDIN-3-YL MORPHOLINE

C9H12N2O (164.095)


   

2,7-DIMETHYL-5-SILASPIRO[4.4]NONA-2,7-DIENE

2,7-DIMETHYL-5-SILASPIRO[4.4]NONA-2,7-DIENE

C10H16Si (164.1021)


   

N-Benzyl-N-Methylethylenediamine

N-Benzyl-N-Methylethylenediamine

C10H16N2 (164.1313)


   

N-ISOPROPYL-4-AMINOBENZYLAMINE

N-ISOPROPYL-4-AMINOBENZYLAMINE

C10H16N2 (164.1313)


   

1,1-Dimethoxy-2-(2-methoxyethoxy)ethane

1,1-Dimethoxy-2-(2-methoxyethoxy)ethane

C7H16O4 (164.1049)


   

3-(Dimethylamino)benzamide

3-(Dimethylamino)benzamide

C9H12N2O (164.095)


   

(2H8)-4,4-Bipyridine

(2H8)-4,4-Bipyridine

C10D8N2 (164.119)


   

2,4-diethylbenzene-1,3-diamine

2,4-diethylbenzene-1,3-diamine

C10H16N2 (164.1313)


   

(S)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

(S)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

C9H12N2O (164.095)


   

2-amino-N-methyl-N-phenylacetamide

2-amino-N-methyl-N-phenylacetamide

C9H12N2O (164.095)


   

N-methyl-N-nitroso-(3-methylphenyl)methylamine

N-methyl-N-nitroso-(3-methylphenyl)methylamine

C9H12N2O (164.095)


   

1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

C11H16O (164.1201)


   

5-tert-butyl-m-cresol

5-tert-butyl-m-cresol

C11H16O (164.1201)


   

3-ethoxybenzenecarboximidamide

3-ethoxybenzenecarboximidamide

C9H12N2O (164.095)


   

Acetamide, N-(4-amino-2-methylphenyl)-

Acetamide, N-(4-amino-2-methylphenyl)-

C9H12N2O (164.095)


   

tetraethylphosphanium,hydroxide

tetraethylphosphanium,hydroxide

C8H21OP (164.133)


   

octahydro-4,7-methano-1H-indenecarbaldehyde

octahydro-4,7-methano-1H-indenecarbaldehyde

C11H16O (164.1201)


   

propyltrimethoxysilane

propyltrimethoxysilane

C6H16O3Si (164.0869)


   

3-Phenylpropanohydrazide

3-Phenylpropanohydrazide

C9H12N2O (164.095)


   

7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene

7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene

C11H16O (164.1201)


   

3,3-Diethoxy-1,2-propanediol

3,3-Diethoxy-1,2-propanediol

C7H16O4 (164.1049)


   

BUTYLENE GLYCOL PROPIONATE

BUTYLENE GLYCOL PROPIONATE

C7H16O4 (164.1049)


   

Benzeneethanol, a-(1-methylethyl)-

Benzeneethanol, a-(1-methylethyl)-

C11H16O (164.1201)


   

N,N-Dimethyl-4-[(methylamino)methyl]aniline

N,N-Dimethyl-4-[(methylamino)methyl]aniline

C10H16N2 (164.1313)


   

2-(4-METHOXY-PHENYL)-ACETAMIDINE

2-(4-METHOXY-PHENYL)-ACETAMIDINE

C9H12N2O (164.095)


   

3-ACETYLNORADAMANTANE TECH. 85

3-ACETYLNORADAMANTANE TECH. 85

C11H16O (164.1201)


   

tetrakis(trideuteriomethyl) silicate

tetrakis(trideuteriomethyl) silicate

C4D12O4Si (164.1258)


   

p-sec-amylphenol

p-sec-amylphenol

C11H16O (164.1201)


   

2-amino-4-propan-2-ylpyridine-3-carbaldehyde

2-amino-4-propan-2-ylpyridine-3-carbaldehyde

C9H12N2O (164.095)


   

N-methyl-N-nitroso-(4-methylphenyl)methylamine

N-methyl-N-nitroso-(4-methylphenyl)methylamine

C9H12N2O (164.095)


   

6-pyrrolidin-1-ylpyrimidin-4-amine

6-pyrrolidin-1-ylpyrimidin-4-amine

C8H12N4 (164.1062)


   

3-Amino-N,N-dimethylbenzamide

3-Amino-N,N-dimethylbenzamide

C9H12N2O (164.095)


   

Triethoxysilane

Triethoxysilane

C6H16O3Si (164.0869)


   

Piperazine, 2-ethyl-5-methyl-, hydrochloride

Piperazine, 2-ethyl-5-methyl-, hydrochloride

C7H17ClN2 (164.108)


   

Benzene,1-methyl-4-(trimethylsilyl)-

Benzene,1-methyl-4-(trimethylsilyl)-

C10H16Si (164.1021)


   

Acetamide, N-(2-amino-4-methylphenyl)-

Acetamide, N-(2-amino-4-methylphenyl)-

C9H12N2O (164.095)


   

1-(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methanamine

1-(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methanamine

C9H12N2O (164.095)


   

4-amino-3,5-dimethylbenzamide

4-amino-3,5-dimethylbenzamide

C9H12N2O (164.095)


   

1-(3-AMINO-4-(METHYLAMINO)PHENYL)ETHANONE

1-(3-AMINO-4-(METHYLAMINO)PHENYL)ETHANONE

C9H12N2O (164.095)


   

1-CYCLOHEPTYLHYDRAZINE HYDROCHLORIDE

1-CYCLOHEPTYLHYDRAZINE HYDROCHLORIDE

C7H17ClN2 (164.108)


   

2,4-dimethylphenylurea

2,4-dimethylphenylurea

C9H12N2O (164.095)


   

4-tert-Butylbenzyl alcohol

4-tert-Butylbenzyl alcohol

C11H16O (164.1201)


   

1-N-BUTYL-1-PHENYLHYDRAZINE

1-N-BUTYL-1-PHENYLHYDRAZINE

C10H16N2 (164.1313)


   

4-Isopropylphenylboronic acid

4-Isopropylphenylboronic acid

C9H13BO2 (164.1009)


   

2-(3-Hexenyl)-5-Methylfuran

2-(3-Hexenyl)-5-Methylfuran

C11H16O (164.1201)


   

(Z)-2-(3-Hexenyl)-5-Methylfuran

(Z)-2-(3-Hexenyl)-5-Methylfuran

C11H16O (164.1201)


   

2,6,6-Trimethyl-1-(2-formylmethylene-1-yl)-2-cyclohexene

2,6,6-Trimethyl-1-(2-formylmethylene-1-yl)-2-cyclohexene

C11H16O (164.1201)


   

2-Amino-N,3-dimethylbenzamide

2-Amino-N,3-dimethylbenzamide

C9H12N2O (164.095)


   

3-aMino-N,4-diMethylbenzaMide

3-aMino-N,4-diMethylbenzaMide

C9H12N2O (164.095)


   

1-N-butylbenzene-1,2-diamine

1-N-butylbenzene-1,2-diamine

C10H16N2 (164.1313)


   

N1,n1-dimethyl-3-(4-pyridyl)propan-1-amine

N1,n1-dimethyl-3-(4-pyridyl)propan-1-amine

C10H16N2 (164.1313)


   

Kondensationsprodukte von mehrwertigen aliphatischen Alkoholen oder Kohlehydraten oder 1,2-Ethylendiamin mit Ethylenoxid und/oder Propylenoxid

Kondensationsprodukte von mehrwertigen aliphatischen Alkoholen oder Kohlehydraten oder 1,2-Ethylendiamin mit Ethylenoxid und/oder Propylenoxid

C7H16O4 (164.1049)


   

(2,6-DICHLORO-BENZENESULFONYLAMINO)-ACETICACID

(2,6-DICHLORO-BENZENESULFONYLAMINO)-ACETICACID

C10H16N2 (164.1313)


   

2-ethylbenzohydrazide

2-ethylbenzohydrazide

C9H12N2O (164.095)


   

6-T-BUTYL-2-METHYLPHENOL

6-T-BUTYL-2-METHYLPHENOL

C11H16O (164.1201)


   

2-(4-Methylphenyl)acetohydrazide

2-(4-Methylphenyl)acetohydrazide

C9H12N2O (164.095)


   

N-(3-Aminophenyl)-N-methylacetamide

N-(3-Aminophenyl)-N-methylacetamide

C9H12N2O (164.095)


   

2,4-DIMETHYLQUINOLINE-7-CARBOXYLIC ACID

2,4-DIMETHYLQUINOLINE-7-CARBOXYLIC ACID

C10H16N2 (164.1313)


   

1-(2-Pyrazinyl)piperazine

1-(2-Pyrazinyl)piperazine

C8H12N4 (164.1062)


   

3-Methyl-N-(2-methyl-2-propanyl)-2-pyridinamine

3-Methyl-N-(2-methyl-2-propanyl)-2-pyridinamine

C10H16N2 (164.1313)


   

1-(2-METHYL-2-PHENYLPROPYL)HYDRAZINE

1-(2-METHYL-2-PHENYLPROPYL)HYDRAZINE

C10H16N2 (164.1313)


   

2-MORPHOLINOPYRIDINE

2-MORPHOLINOPYRIDINE

C9H12N2O (164.095)


   

5-Amino-5,6,7,8-tetrahydro-2(1H)-quinolinone

5-Amino-5,6,7,8-tetrahydro-2(1H)-quinolinone

C9H12N2O (164.095)


   

1,3-BIS(DIMETHYLPHOSPHINO)PROPANE

1,3-BIS(DIMETHYLPHOSPHINO)PROPANE

C7H18P2 (164.0884)


   

Sebaconitrile

Sebaconitrile

C10H16N2 (164.1313)


   

(2H10)Biphenyl

(2H10)Biphenyl

C12D10 (164.141)


   

4-Amino-N-methylacetanilide

4-Amino-N-methylacetanilide

C9H12N2O (164.095)


   

4-TERT-BUTYLANISOLE

4-TERT-BUTYLANISOLE

C11H16O (164.1201)


   

2-METHYL-1-PHENYL-1-BUTANOL

2-METHYL-1-PHENYL-1-BUTANOL

C11H16O (164.1201)


   

H-D-PHE-NH2

H-D-PHE-NH2

C9H12N2O (164.095)


   

(R)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE-HCL

(R)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE-HCL

C9H12N2O (164.095)


   

6-(DIMETHYLAMINO)-4-METHYLNICOTINALDEHYDE

6-(DIMETHYLAMINO)-4-METHYLNICOTINALDEHYDE

C9H12N2O (164.095)


   

N-(2-PYRIDIN-2-YLETHYL)PROPYLAMINE

N-(2-PYRIDIN-2-YLETHYL)PROPYLAMINE

C10H16N2 (164.1313)


   

BIS(2-METHOXYETHOXY)METHANE

BIS(2-METHOXYETHOXY)METHANE

C7H16O4 (164.1049)


   

(4-methylphenyl)methylurea

(4-methylphenyl)methylurea

C9H12N2O (164.095)


   

6-Iodo-2,3-dimethoxypyridine

6-Iodo-2,3-dimethoxypyridine

C9H12N2O (164.095)


   

4-(2-AMINO-PROPYL)-3-METHYL-PHENYLAMINE

4-(2-AMINO-PROPYL)-3-METHYL-PHENYLAMINE

C10H16N2 (164.1313)


   

2-Pyridinecarboxaldehyde,O-propyloxime

2-Pyridinecarboxaldehyde,O-propyloxime

C9H12N2O (164.095)


   

8-CHLORO-1-OCTANOL

8-CHLORO-1-OCTANOL

C8H17ClO (164.0968)


   

N,N-Diethyl-1,3-benzenediamine

N,N-Diethyl-1,3-benzenediamine

C10H16N2 (164.1313)


   

4a-Methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-

C11H16O (164.1201)


   

N-(1,3-THIAZOL-4-YLMETHYL)ETHANAMINE

N-(1,3-THIAZOL-4-YLMETHYL)ETHANAMINE

C10H16N2 (164.1313)


   

1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-

1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-

C9H12N2O (164.095)


   

3-Methyl-1-(4-pyridyl)-1-butylamine

3-Methyl-1-(4-pyridyl)-1-butylamine

C10H16N2 (164.1313)


   

N1,N3-DIETHYLBENZENE-1,3-DIAMINE

N1,N3-DIETHYLBENZENE-1,3-DIAMINE

C10H16N2 (164.1313)


   

2-(Pyridin-2-yl)morpholine

2-(Pyridin-2-yl)morpholine

C9H12N2O (164.095)


   

2-(Pyridin-3-yl)Morpholine

2-(Pyridin-3-yl)Morpholine

C9H12N2O (164.095)


   

2-(Pyridin-4-yl)morpholine

2-(Pyridin-4-yl)morpholine

C9H12N2O (164.095)


   

3-(2-Aminoethyl)benzamide

3-(2-Aminoethyl)benzamide

C9H12N2O (164.095)


   

2-Phenyl-1,2-butanediamine

2-Phenyl-1,2-butanediamine

C10H16N2 (164.1313)


   

Pluronic F-127

2-[2-(2-Hydroxyethoxy)propoxy]ethanol

C7H16O4 (164.1049)


D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials

   

N-Methyl-3-pyridinebutanamine Dihydrochloride

N-Methyl-3-pyridinebutanamine Dihydrochloride

C10H16N2 (164.1313)


   

2-Fluoromethylornithine

2-Fluoromethylornithine

C6H13FN2O2 (164.0961)


   

3,5-Dimethyl-2-isobutylpyrazine

3,5-Dimethyl-2-isobutylpyrazine

C10H16N2 (164.1313)


   

2-Cyano-2-cyclohexylideneacetamide

2-Cyano-2-cyclohexylideneacetamide

C9H12N2O (164.095)


   

1-Sec-butyl-4-methoxybenzene

1-Sec-butyl-4-methoxybenzene

C11H16O (164.1201)


   

N-(3-Hydroxyphenyl)-N,N-dimethylformamidine

N-(3-Hydroxyphenyl)-N,N-dimethylformamidine

C9H12N2O (164.095)


   

2-(2,2,3-Trimethylcyclopent-3-enyl)acrylaldehyde

2-(2,2,3-Trimethylcyclopent-3-enyl)acrylaldehyde

C11H16O (164.1201)


   

6-Hydroxy-nornicotine

6-Hydroxy-nornicotine

C9H12N2O (164.095)


   

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-6-methyl-

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-6-methyl-

C9H12N2O (164.095)


   

S-propylamine-L-cysteine

S-propylamine-L-cysteine

C6H16N2OS (164.0983)


   

6-Amino-3,9-dimethyl-9H-purin-3-ium

6-Amino-3,9-dimethyl-9H-purin-3-ium

C7H10N5+ (164.0936)


   

(3R)-2,2-dimethyl-3-methylphosphonoyloxybutane

(3R)-2,2-dimethyl-3-methylphosphonoyloxybutane

C7H17O2P (164.0966)


   

Fenipentol

Fenipentol

C11H16O (164.1201)


C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics

   

AI3-03431

Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-

C11H16O (164.1201)


   

1-(2-methoxypropan-2-yl)-4-methylbenzene

1-(1-methoxy-1-methyl-ethyl)-4-methyl-benzene

C11H16O (164.1201)


   

Jasmone

2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- (8CI)

C11H16O (164.1201)


Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1]. Cis-Jasmone is a plant-derived natural product. Cis-Jasmone is constitutively released by many flowers and sometimes by leaves as an attractant for pollinators or as a chemical cue for host location by insect flower herbivores. Cis-Jasmone treatment of crop plants not only induces direct defense against herbivores, but also induces indirect defense by releasing VOCs that attract natural enemies[1].

   

AI3-03091

InChI=1\C11H16O\c1-11(2,3)9-5-7-10(12-4)8-6-9\h5-8H,1-4H

C11H16O (164.1201)


   

1,3-Diamino-4,5,6-trihydroxy-cyclohexane

1,3-Diamino-4,5,6-trihydroxy-cyclohexane

C6H16N2O3+2 (164.1161)


   

2-Deoxy-scyllo-inosamine(1+)

2-Deoxy-scyllo-inosamine(1+)

C6H14NO4+ (164.0923)


   

(2R,3S,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

(2R,3S,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

C6H14NO4+ (164.0923)


   

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

C6H14NO4+ (164.0923)


   

(S)-N-methylcathinone

(S)-N-methylcathinone

C10H14NO+ (164.1075)


   

4-amino-4,6-dideoxy-D-glucose

4-amino-4,6-dideoxy-D-glucose

C6H14NO4+ (164.0923)


   

N, N1-bis-(prop-2-ynyl)-1,4-diaminobutane

N, N1-bis-(prop-2-ynyl)-1,4-diaminobutane

C10H16N2 (164.1313)


   

Aldehydo bacillosamine

Aldehydo bacillosamine

C6H16N2O3+2 (164.1161)


   

Bacillosamine (pyranose form)

Bacillosamine (pyranose form)

C6H16N2O3+2 (164.1161)


   

(2R,3R,4R,5R)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

(2R,3R,4R,5R)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

C6H14NO4+ (164.0923)


   

4-Deoxystreptamine

4-Deoxystreptamine

C6H16N2O3+2 (164.1161)


   

aldehydo-D-perosamine

aldehydo-D-perosamine

C6H14NO4+ (164.0923)


   

3-amino-3,6-dideoxy-alpha-D-glucose

3-amino-3,6-dideoxy-alpha-D-glucose

C6H14NO4+ (164.0923)


   

5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine

5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine

C10H16N2 (164.1313)


   

[(3S,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]azanium

[(3S,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]azanium

C6H14NO4+ (164.0923)


   

2,3-Diamino-1-phenyl-1-propanone

2,3-Diamino-1-phenyl-1-propanone

C9H12N2O (164.095)


   

(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene

(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene

C11H16O (164.1201)


   

(4S)-4-isopropenyl-1-methyl-2-methylene-7-oxabicyclo[4.1.0]heptane

(4S)-4-isopropenyl-1-methyl-2-methylene-7-oxabicyclo[4.1.0]heptane

C11H16O (164.1201)


   

2,6-diamino-2,3,6-trideoxy-alpha-D-glucose(2+)

2,6-diamino-2,3,6-trideoxy-alpha-D-glucose(2+)

C6H16N2O3+2 (164.1161)


   

(R)-methcathinone(1+)

(R)-methcathinone(1+)

C10H14NO+ (164.1075)


   

(R)-6-methylcarvone

(R)-6-methylcarvone

C11H16O (164.1201)


   

1,5-Dimethylbicyclo[3.2.2]non-3-en-2-one

1,5-Dimethylbicyclo[3.2.2]non-3-en-2-one

C11H16O (164.1201)


   

Exo-7-methylbicyclo(4.1.0)hept-2-EN-endo-7-propanal

Exo-7-methylbicyclo(4.1.0)hept-2-EN-endo-7-propanal

C11H16O (164.1201)


   

1,5-Dimethylbicyclo(3.2.2)non-6-EN-2-one

1,5-Dimethylbicyclo(3.2.2)non-6-EN-2-one

C11H16O (164.1201)


   

6,8,8-Trimethylbicyclo(3.2.1)oct-6-EN-2-one

6,8,8-Trimethylbicyclo(3.2.1)oct-6-EN-2-one

C11H16O (164.1201)


   

1,6,6-Trimethylbicyclo(3.3.0)oct-7-EN-2-one

1,6,6-Trimethylbicyclo(3.3.0)oct-7-EN-2-one

C11H16O (164.1201)


   

4-tert-Amylphenol

4-tert-Amylphenol

C11H16O (164.1201)


   

2-Isopropyl-5-methylanisole

2-Isopropyl-5-methylanisole

C11H16O (164.1201)


   

2-Methyl-4-phenyl-2-butanol

2-Methyl-4-phenyl-2-butanol

C11H16O (164.1201)


   

5-Phenylpentan-1-ol

5-Phenylpentan-1-ol

C11H16O (164.1201)


   

(e)-Jasmone

(e)-Jasmone

C11H16O (164.1201)


   

2-(1-Piperazinyl)pyrimidine

1-(2-PYRIMIDINYL) PIPERAZINE

C8H12N4 (164.1062)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants

   

Benzyl butyl ether

Benzene,(butoxymethyl)-

C11H16O (164.1201)


   

1-phenyl-2-pentanol

1-phenyl-2-pentanol

C11H16O (164.1201)


   

2,3,5-Trimethyl-6-propylpyrazine

2,3,5-Trimethyl-6-propylpyrazine

C10H16N2 (164.1313)


   

2-Butyl-4-methylphenol

2-Butyl-4-methylphenol

C11H16O (164.1201)


   

5-Fluoromethylornithine

5-Fluoromethylornithine

C6H13FN2O2 (164.0961)


   

(5R)-2,3-dimethyl-5-isopropenyl-2-cyclohexene-1-one

(5R)-2,3-dimethyl-5-isopropenyl-2-cyclohexene-1-one

C11H16O (164.1201)


A carvone compound comprising (R)-carvone having a 3-methyl substituent.

   

1,1-dimethyl-3-phenyl-urea

1,1-dimethyl-3-phenyl-urea

C9H12N2O (164.095)


   

Dimethylphenyl-urea

Dimethylphenyl-urea

C9H12N2O (164.095)


   

Pyrimidylpiperazine

Pyrimidylpiperazine

C8H12N4 (164.1062)


   

(1s,4z,9s)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene

(1s,4z,9s)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene

C11H16O (164.1201)


   

2-(3-methylbutyl)phenol

2-(3-methylbutyl)phenol

C11H16O (164.1201)


   

(2e,4e)-undeca-2,4,10-trienal

(2e,4e)-undeca-2,4,10-trienal

C11H16O (164.1201)


   

3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one

3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one

C11H16O (164.1201)


   

3-butyl-2,5-dimethylpyrazine

3-butyl-2,5-dimethylpyrazine

C10H16N2 (164.1313)


   

undeca-2,4,10-trienal

undeca-2,4,10-trienal

C11H16O (164.1201)


   

1(2H)-naphthalenone,3,4,4a,5,8,8a-hexahydro-8a-methyl-,trans-

NA

C11H16O (164.1201)


{"Ingredient_id": "HBIN000862","Ingredient_name": "1(2H)-naphthalenone,3,4,4a,5,8,8a-hexahydro-8a-methyl-,trans-","Alias": "NA","Ingredient_formula": "C11H16O","Ingredient_Smile": "CC12CC=CCC1CCCC2=O","Ingredient_weight": "164.24 g/mol","OB_score": "29.21258574","CAS_id": "NA","SymMap_id": "SMIT11985","TCMID_id": "NA","TCMSP_id": "MOL011028","TCM_ID_id": "NA","PubChem_id": "535073","DrugBank_id": "NA"}

   

4-(2-methylcyclohex-1-enyl)-but-2-enal

NA

C11H16O (164.1201)


{"Ingredient_id": "HBIN009881","Ingredient_name": "4-(2-methylcyclohex-1-enyl)-but-2-enal","Alias": "NA","Ingredient_formula": "C11H16O","Ingredient_Smile": "CC1=C(CCCC1)CC=CC=O","Ingredient_weight": "164.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40245","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5368932","DrugBank_id": "NA"}

   

trimethyl(2-phenylethyl)azanium

trimethyl(2-phenylethyl)azanium

[C11H18N]+ (164.1439)


   

2-ethyl-3-methyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

2-ethyl-3-methyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

C10H16N2 (164.1313)


   

3-isopropyl-2,6-dimethylphenol

3-isopropyl-2,6-dimethylphenol

C11H16O (164.1201)


   

(5-isopropyl-2-methylphenyl)methanol

(5-isopropyl-2-methylphenyl)methanol

C11H16O (164.1201)


   

3,4-dihydro-1'h,4'h,5h,5'h,6h,6'h-2,3'-bipyridine

3,4-dihydro-1'h,4'h,5h,5'h,6h,6'h-2,3'-bipyridine

C10H16N2 (164.1313)


   

2,5-diisopropylpyrazine

2,5-diisopropylpyrazine

C10H16N2 (164.1313)


   

2-(pentan-3-yl)phenol

2-(pentan-3-yl)phenol

C11H16O (164.1201)


   

3-[(2s)-butan-2-yl]-2-methyl-5-methylidenecyclopent-2-en-1-one

3-[(2s)-butan-2-yl]-2-methyl-5-methylidenecyclopent-2-en-1-one

C11H16O (164.1201)


   

3-(aminomethyl)-2,3-dihydro-1h-indol-5-ol

3-(aminomethyl)-2,3-dihydro-1h-indol-5-ol

C9H12N2O (164.095)


   

(2s)-2-amino-3-phenylpropanimidic acid

(2s)-2-amino-3-phenylpropanimidic acid

C9H12N2O (164.095)


   

2-[(1r,2s,3s,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]acetaldehyde

2-[(1r,2s,3s,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]acetaldehyde

C11H16O (164.1201)


   

(3s)-3-(aminomethyl)-2,3-dihydro-1h-indol-5-ol

(3s)-3-(aminomethyl)-2,3-dihydro-1h-indol-5-ol

C9H12N2O (164.095)


   

4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

C11H16O (164.1201)


   

3-ethyl-2-methyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

3-ethyl-2-methyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

C10H16N2 (164.1313)


   

2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde

2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde

C11H16O (164.1201)


   

3-isopropyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

3-isopropyl-5h,6h,7h,8h-imidazo[1,2-a]pyridine

C10H16N2 (164.1313)


   

(4z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

(4z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

C11H16O (164.1201)


   

(5s)-2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde

(5s)-2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde

C11H16O (164.1201)


   

2-isopropyl-4-methylanisole

2-isopropyl-4-methylanisole

C11H16O (164.1201)


   

1-[(1r,2s,3s,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]ethanone

1-[(1r,2s,3s,4r,6s)-2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl]ethanone

C11H16O (164.1201)