Exact Mass: 180.1068

Exact Mass Matches: 180.1068

Found 220 metabolites which its exact mass value is equals to given mass value 180.1068, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

3-tert-Butyl-5-methylcatechol

3-tert-Butyl-5-methylpyrocatechol

C11H16O2 (180.115)


   

Dihydroactinidiolide

(+/-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE [FHFI]

C11H16O2 (180.115)


Dihydroactinidiolide is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Dihydroactinidiolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroactinidiolide is a red fruit, ripe apricot, and woody tasting compound found in coffee and coffee products, fruits, and tea, which makes dihydroactinidiolide a potential biomarker for the consumption of these food products. Dihydroactinidiolide exists in all eukaryotes, ranging from yeast to humans. Dihydroactinidiolide is a volatile terpene. It has a sweet, tea-like odor and is used as a fragrance. Dihydroactinidiolide occurs naturally in black tea, fenugreek, fire ants, mangos, silver vine (Actinidia polygama), and tobacco. It has also been prepared synthetically . Dihydroactinidiolide is found in coffee and coffee products. Dihydroactinidiolide has been isolated from tea, coffee and fruits. Dihydroactinidiolide is an important aroma constituent of tea. Dihydroactinidiolide is a member of benzofurans. Dihydroactinidiolide is a natural product found in Tagetes lucida, Cucumis melo, and other organisms with data available. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2]. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2].

   

3-tert-Butyl-4-hydroxyanisole

3-(1,1-Dimethylethyl)-4-hydroxyanisole

C11H16O2 (180.115)


3-tert-Butyl-4-hydroxyanisole (3-BHA), also known as BHA or 4-methoxy-2-tert-butylphenol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. BHA is an extremely weak basic (essentially neutral) compound (based on its pKa). BHA is a waxy solid used as a food additive with the E number E320. BHA is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHA was detected in human urine (PMID: 31265952).

   

2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

C11H16O2 (180.115)


2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is found in alcoholic beverages. 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene is a constituent of hops

   

Norecasantalic acid

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

C11H16O2 (180.115)


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

   

Jasmolone

4-hydroxy-3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one

C11H16O2 (180.115)


Jasmolone is found in herbs and spices. Jasmolone is a constituent of oil of Jasminum grandiflorum (royal jasmine)

   

Bovolide

(5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one

C11H16O2 (180.115)


Constituent of peppermint oil. Bovolide is found in peppermint and herbs and spices. Bovolide is found in herbs and spices. Bovolide is a constituent of peppermint oil.

   

4-(Butoxymethyl)phenol

4-(BUTOXYMETHYL)PHENOL

C11H16O2 (180.115)


4-(Butoxymethyl)phenol is a constituent of the leaves and stems of Vanilla fragrans (vanilla). Constituent of the leaves and stems of Vanilla fragrans (vanilla)

   

2-Phenylpropionaldehyde dimethyl acetal

2-Phenylpropionaldehyde dimethyl acetal

C11H16O2 (180.115)


1,1-Dimethoxy-2-phenylpropane is a flavouring agent. It is used as a food additive .

   

(+)-Myrtenyl formate

{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl formic acid

C11H16O2 (180.115)


(+)-Myrtenyl formate is found in herbs and spices. (+)-Myrtenyl formate is a flavouring ingredient. (+)-Myrtenyl formate is present in hyssop oil (Hyssopus officinalis). (+)-Myrtenyl formate is a flavouring ingredient. It is found in herbs such as hyssop oil (Hyssopus officinalis) and spices.

   

2-tert-Butyl-4-hydroxyanisole

2-(1,1-Dimethylethyl)-4-hydroxyanisole

C11H16O2 (180.115)


2-tert-Butyl-4-hydroxyanisole is an ingredient in butylated hydroxyanisole. Butylated hydroxyanisole (BHA) is an antioxidant consisting of a mixture of two isomeric organic compounds, 2-tert-butyl-4-hydroxyanisole and 3-tert-butyl-4-hydroxyanisole. It is prepared from 4-methoxyphenol and isobutylene. It is a waxy solid used as a food additive with the E number E320. The primary use for BHA is as an antioxidant and preservative in food, food packaging, animal feed, cosmetics, rubber, and petroleum products. BHA also is commonly used in medicines, such as isotretinoin, lovastatin, and simvastatin, among others. (Wikipedia) C26170 - Protective Agent > C275 - Antioxidant

   

3,7-Dimethylbicyclo[4.1.0]heptane-1,7-dicarbaldehyde

3,7-Dimethylbicyclo[4.1.0]heptane-1,7-dicarbaldehyde

C11H16O2 (180.115)


   

trans-Carvyl formate

(1R,5S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl formic acid

C11H16O2 (180.115)


Trans-carvyl formate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-carvyl formate can be found in spearmint, which makes trans-carvyl formate a potential biomarker for the consumption of this food product.

   

Limonenecarboxylic acid

Limonenecarboxylic acid

C11H16O2 (180.115)


   

NSC 379495

5-(1-Methoxy-1-methylethyl)-2-methyl-phenol

C11H16O2 (180.115)


   

1,1,5-Trimethyl-2-formyl-6-methoxy-[2,4]-cyclohexadiene

1,1,5-Trimethyl-2-formyl-6-methoxy-[2,4]-cyclohexadiene

C11H16O2 (180.115)


   

1,1,5-Trimethyl-2-formyl-4-methoxy-[2,5]-cyclohexadiene

1,1,5-Trimethyl-2-formyl-4-methoxy-[2,5]-cyclohexadiene

C11H16O2 (180.115)


   

1,4-Diethoxy-2-methylbenzene

1,4-Diethoxy-2-methyl benzene

C11H16O2 (180.115)


   

1-(4-Fluorophenyl)piperazine

1-(4-Fluorophenyl)piperazine

C10H13FN2 (180.1063)


   

Olivetol

5-n-Pentylresorcinol;5-Pentyl-1,3-benzenediol

C11H16O2 (180.115)


Olivetol appears as off-white crystals or olive to light purple waxy solid. Forms monohydrate (melting point: 102-106 °F). (NTP, 1992) Olivetol is a member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. It has a role as a lichen metabolite. Olivetol is a natural product found in Ardisia virens, Primula obconica, and Cannabis sativa with data available. A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. Olivetol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=500-66-3 (retrieved 2024-07-12) (CAS RN: 500-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activity, with IC50s of 15.3 μM, 7.21 μM and Kis of 2.71 μM, 2.87 μM, respectively[1][2]. Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activity, with IC50s of 15.3 μM, 7.21 μM and Kis of 2.71 μM, 2.87 μM, respectively[1][2].

   

D-1-Deoxygalactitol,,

D-1-Deoxygalactitol,,

C7H16O5 (180.0998)


   
   

methyl decatrienoate

methyl decatrienoate

C11H16O2 (180.115)


   

p-Methoxythymol

p-Methoxythymol

C11H16O2 (180.115)


   

1,4,4-Trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen|1,4,4-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene

1,4,4-Trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen|1,4,4-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene

C11H16S (180.0973)


   

methyl deca-3,5,7-trienoate

methyl deca-3,5,7-trienoate

C11H16O2 (180.115)


   

(4S*)-4-methoxy-p-mentha-1,8-dien-3-one

(4S*)-4-methoxy-p-mentha-1,8-dien-3-one

C11H16O2 (180.115)


   

1,1-Dimethoxy-3-phenylpropane

1,1-Dimethoxy-3-phenylpropane

C11H16O2 (180.115)


   

1,2-Dimethoxy-4-propylbenzene

1,2-DIMETHOXY-4-N-PROPYLBENZENE

C11H16O2 (180.115)


   

SCHEMBL14934286

SCHEMBL14934286

C11H16O2 (180.115)


   

2,3-Dimethyl-2,6-cyclo-norbornan-3-carbonsaeure-methylester|2,3-dimethyl-2,6-cyclo-norbornane-3-carboxylic acid methyl ester

2,3-Dimethyl-2,6-cyclo-norbornan-3-carbonsaeure-methylester|2,3-dimethyl-2,6-cyclo-norbornane-3-carboxylic acid methyl ester

C11H16O2 (180.115)


   

Methyl 4-trans-dehydrogeranate

Methyl 4-trans-dehydrogeranate

C11H16O2 (180.115)


   

(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone|(??)-(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone

(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone|(??)-(E)-5-(3,6-Heptadienyl)dihydro-2(3H)-furanone

C11H16O2 (180.115)


   

4-Isoamylresorcinol

4-Isoamylresorcinol

C11H16O2 (180.115)


   

Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate

Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate

C11H16O2 (180.115)


   

1-Phenylpentane-1,3-diol

1-Phenylpentane-1,3-diol

C11H16O2 (180.115)


   

5-(2-methoxypropan-2-yl)-2-methylphenol

5-(2-methoxypropan-2-yl)-2-methylphenol

C11H16O2 (180.115)


   

4-hex-1-enyl-2-methyl-2H-furan-5-one

4-hex-1-enyl-2-methyl-2H-furan-5-one

C11H16O2 (180.115)


   

3-Methoxy-4,6,6-trimethyl-1,4-cyclohexadiene-1-carbaldehyde

3-Methoxy-4,6,6-trimethyl-1,4-cyclohexadiene-1-carbaldehyde

C11H16O2 (180.115)


   

5-Isopropyl-4-methoxy-2-methylphenol

5-Isopropyl-4-methoxy-2-methylphenol

C11H16O2 (180.115)


   

4abeta,7alpha,4aalpha-nepetalactone

4abeta,7alpha,4aalpha-nepetalactone

C11H16O2 (180.115)


   

SCHEMBL692205

SCHEMBL692205

C11H16O2 (180.115)


   

heptane-1,3,4,5,7-pentol

heptane-1,3,4,5,7-pentol

C7H16O5 (180.0998)


   

4-(4-methoxyphenyl)butan-2-ol

4-(4-methoxyphenyl)butan-2-ol

C11H16O2 (180.115)


   

3-(1-hydroxypentyl)phenol

3-(1-hydroxypentyl)phenol

C11H16O2 (180.115)


   

undec-9-en-7-ynoic acid

undec-9-en-7-ynoic acid

C11H16O2 (180.115)


   

(4-isopropyl-3-methoxyphenyl)methanol

(4-isopropyl-3-methoxyphenyl)methanol

C11H16O2 (180.115)


   

Camellimidazole E

Camellimidazole E

C8H12N4O (180.1011)


   

Butylated hydroxyanisole

2-tert-Butyl-4-methoxyphenol

C11H16O2 (180.115)


CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4998; ORIGINAL_PRECURSOR_SCAN_NO 4996 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4957; ORIGINAL_PRECURSOR_SCAN_NO 4954 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4977; ORIGINAL_PRECURSOR_SCAN_NO 4975 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5011; ORIGINAL_PRECURSOR_SCAN_NO 5006 CONFIDENCE standard compound; INTERNAL_ID 914; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4999; ORIGINAL_PRECURSOR_SCAN_NO 4996

   

2-Piperazin-1-ylpyrimidin-5-ol

1-(5-Hydroxy-2-pyrimidinyl)piperazine

C8H12N4O (180.1011)


   

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

C11H16O2 (180.115)


   

Jasmolone

4-hydroxy-3-methyl-2-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-one

C11H16O2 (180.115)


   

fema 2888

2-Phenylpropionaldehyde dimethyl acetal

C11H16O2 (180.115)


   

Dihydroactinidiolide

2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone

C11H16O2 (180.115)


(±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2]. (±)-Dihydroactinidiolide, an important aroma compound of black tea and tobacco, has been isolated from several plants. (±)-Dihydroactinidiolide can be formation from β-Carotene by the treatment of polyphenoloxidase, the lipoxygenase, and the xanthine oxidase[1][2].

   

Myrtenyl formate

(7,7-Dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl formate

C11H16O2 (180.115)


   

Norecasantalic acid

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

C11H16O2 (180.115)


   

Bovolide

(5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one

C11H16O2 (180.115)


   

4-(BUTOXYMETHYL)PHENOL

4-(BUTOXYMETHYL)PHENOL

C11H16O2 (180.115)


   

1-(p-Fluorophenyl) piperazine

1-(p-Fluorophenyl) piperazine

C10H13FN2 (180.1063)


   

formyl 2E,4E,6Z-decatrienoate

formyl 2E,4E,6Z-decatrienoate

C11H16O2 (180.115)


   

formyl 2E,4Z,6Z-decatrienoate

formyl 2E,4Z,6Z-decatrienoate

C11H16O2 (180.115)


   

formyl 2Z,4E,6Z-decatrienoate

formyl 2Z,4E,6Z-decatrienoate

C11H16O2 (180.115)


   

7E,10-undecadien-4-olide

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

C11H16O2 (180.115)


   

FOH 11:4;O

2-(2-trans-pentenyl-5-hydroxy)-3-methyl-2-cyclopenten-1-one

C11H16O2 (180.115)


   

FA 11:3

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

C11H16O2 (180.115)


   

SFE 11:3

Methyl 2Z,4E,6Z-decatrienoate

C11H16O2 (180.115)


   

3-cyclohexyl-4-methylthiophene

3-cyclohexyl-4-methylthiophene

C11H16S (180.0973)


   

4-(p-methoxyphenyl)butanol

4-(p-methoxyphenyl)butanol

C11H16O2 (180.115)


   

2-(Benzyloxy)-2-methyl-1-propanol

2-(Benzyloxy)-2-methyl-1-propanol

C11H16O2 (180.115)


   

2-Morpholin-4-ylpyrimidin-5-amine

2-Morpholin-4-ylpyrimidin-5-amine

C8H12N4O (180.1011)


   

2-(4-Fluorophenyl)piperazine

2-(4-Fluorophenyl)piperazine

C10H13FN2 (180.1063)


   

3-(Benzyloxy)-2-methyl-1-propanol

3-(Benzyloxy)-2-methyl-1-propanol

C11H16O2 (180.115)


   

Adamantane-1-carboxylic acid

Adamantane-1-carboxylic acid

C11H16O2 (180.115)


   

5-Acetamidomethyl-4-amino-2-methyl pyrimidine

5-Acetamidomethyl-4-amino-2-methyl pyrimidine

C8H12N4O (180.1011)


   

FMOC-L-2-AMINOADIPIC ACID

FMOC-L-2-AMINOADIPIC ACID

C8H12N4O (180.1011)


   

4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide

4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide

C8H12N4O (180.1011)


   

BENZYL ALCOHOL, o-BUTOXY-

BENZYL ALCOHOL, o-BUTOXY-

C11H16O2 (180.115)


   

Alkylphenol disulfide

Alkylphenol disulfide

C11H16O2 (180.115)


   

2-Methylphenylacetaldehyde dimethyl acetal

2-Methylphenylacetaldehyde dimethyl acetal

C11H16O2 (180.115)


   

3-Methylphenylacetaldehyde dimethyl acetal

3-Methylphenylacetaldehyde dimethyl acetal

C11H16O2 (180.115)


   

4-n-Butoxybenzyl alcohol

4-n-Butoxybenzyl alcohol

C11H16O2 (180.115)


   

METHYL PERILLATE

METHYL PERILLATE

C11H16O2 (180.115)


   

1-ISOPROPYL-2,3-DIMETHOXYBENZENE

1-ISOPROPYL-2,3-DIMETHOXYBENZENE

C11H16O2 (180.115)


   

2 4-DIETHOXYTOLUENE

2 4-DIETHOXYTOLUENE

C11H16O2 (180.115)


   

(3-methoxyphenyl)-trimethylsilane

(3-methoxyphenyl)-trimethylsilane

C10H16OSi (180.097)


   

Benzyloxytrimethylsilane

(Benzyloxy)(trimethyl)silane

C10H16OSi (180.097)


   

acetic acid,ethane-1,2-diamine

acetic acid,ethane-1,2-diamine

C6H16N2O4 (180.111)


   

(4-methoxyphenyl)-trimethylsilane

Silane, (4-methoxyphenyl)trimethyl-

C10H16OSi (180.097)


   

Benzenemethanol,4-(1-methylpropoxy)-

Benzenemethanol,4-(1-methylpropoxy)-

C11H16O2 (180.115)


   

4-(4-methoxyphenyl)-1-butanol

4-(4-methoxyphenyl)-1-butanol

C11H16O2 (180.115)


   

4-Tert-Butyl-2-Mercaptotoluene

4-Tert-Butyl-2-Mercaptotoluene

C11H16S (180.0973)


   

3(2H)-Pyridazinone,6-(1-piperazinyl)-(9CI)

3(2H)-Pyridazinone,6-(1-piperazinyl)-(9CI)

C8H12N4O (180.1011)


   

Ammonium adipate

Ammonium adipate

C6H16N2O4 (180.111)


   

Benzenethiol,4-(1,1-dimethylethyl)-2-methyl-

Benzenethiol,4-(1,1-dimethylethyl)-2-methyl-

C11H16S (180.0973)


   

1-ethoxyethoxymethylbenzene

Benzene, ((1-ethoxyethoxy)methyl)-

C11H16O2 (180.115)


   

1,2,3,4,5,6,7,8-OCTAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID

1,2,3,4,5,6,7,8-OCTAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID

C11H16O2 (180.115)


   

4-Benzyloxy-1-butanol

4-Benzyloxy-1-butanol

C11H16O2 (180.115)


   

4-(2-Amino-4-pyrimidyl)morpholine

4-(2-Amino-4-pyrimidyl)morpholine

C8H12N4O (180.1011)


   

4-(Pentyloxy)phenol

4-(Pentyloxy)phenol

C11H16O2 (180.115)


   

5-Tert-butyl-3-methylpyrocatechol

5-Tert-butyl-3-methylpyrocatechol

C11H16O2 (180.115)


   

Benzene,1,3-diethoxy-2-methyl-

Benzene,1,3-diethoxy-2-methyl-

C11H16O2 (180.115)


   

1,3-Dimethoxy-2-propylbenzene

1,3-Dimethoxy-2-propylbenzene

C11H16O2 (180.115)


   

4-tert-Butyl benzyl mercaptan

4-tert-Butyl benzyl mercaptan

C11H16S (180.0973)


   

GUANIDINE CARBONATE

GUANIDINE CARBONATE

C3H12N6O3 (180.0971)


   

(R)-(+)-1,2-OCTADECANEDIOL

(R)-(+)-1,2-OCTADECANEDIOL

C11H16O2 (180.115)


   

Ethoxy(dimethyl)phenylsilane

Ethoxy(dimethyl)phenylsilane

C10H16OSi (180.097)


   

2-CYCLOHEXYL-3-HYDROXYCYCLOPENT-2-ENONE

2-CYCLOHEXYL-3-HYDROXYCYCLOPENT-2-ENONE

C11H16O2 (180.115)


   

6-Morpholinopyrimidin-4-amine

6-Morpholinopyrimidin-4-amine

C8H12N4O (180.1011)


   

2-fluoro-3-piperidin-4-ylpyridine

2-fluoro-3-piperidin-4-ylpyridine

C10H13FN2 (180.1063)


   

2-Heptanoylfuran

1-Heptanone,1-(2-furanyl)-

C11H16O2 (180.115)


   

1,3-Propanediol,2,2-dimethyl-1-phenyl-

1,3-Propanediol,2,2-dimethyl-1-phenyl-

C11H16O2 (180.115)


   

3-Fluoro-4-(1-pyrrolidinyl)aniline

3-Fluoro-4-(1-pyrrolidinyl)aniline

C10H13FN2 (180.1063)


   

2-methyl-4-phenoxybutan-2-ol

2-methyl-4-phenoxybutan-2-ol

C11H16O2 (180.115)


   

4-(Aminomethyl)-1-methyl-piperidin-4-ol(HCl)

4-(Aminomethyl)-1-methyl-piperidin-4-ol(HCl)

C7H17ClN2O (180.1029)


   

2-TRIMETHYLSILYLANISOLE

2-TRIMETHYLSILYLANISOLE

C10H16OSi (180.097)


   

3-TRIMETHYLSILANYLMETHYL-PHENOL

3-TRIMETHYLSILANYLMETHYL-PHENOL

C10H16OSi (180.097)


   

3-AMINO-N,N-DIETHYL-PROPIONAMIDE HCL

3-AMINO-N,N-DIETHYL-PROPIONAMIDE HCL

C7H17ClN2O (180.1029)


   

1-(BENZYLOXY)-2-METHYLPROPAN-2-OL

1-(BENZYLOXY)-2-METHYLPROPAN-2-OL

C11H16O2 (180.115)


   

pelargonic acid sodium salt

pelargonic acid sodium salt

C9H17NaO2 (180.1126)


   

1-(2,6-DICHLOROPHENYL)BIGUANIDEHYDROCHLORIDE

1-(2,6-DICHLOROPHENYL)BIGUANIDEHYDROCHLORIDE

C11H16O2 (180.115)


   

2,4,6-Trimethyl-1,3-benzenedimethanol

2,4,6-Trimethyl-1,3-benzenedimethanol

C11H16O2 (180.115)


   

5,5-dimethyl-2-propan-2-ylidenecyclohexane-1,3-dione

5,5-dimethyl-2-propan-2-ylidenecyclohexane-1,3-dione

C11H16O2 (180.115)


   

methoxy-dimethyl-(4-methylphenyl)silane

methoxy-dimethyl-(4-methylphenyl)silane

C10H16OSi (180.097)


   

4-Butylpyrimidine-5-boronic acid

4-Butylpyrimidine-5-boronic acid

C8H13BN2O2 (180.107)


   

3-ETHOXYSPIRO[3.5]NON-2-EN-1-ONE

3-ETHOXYSPIRO[3.5]NON-2-EN-1-ONE

C11H16O2 (180.115)


   

1-(3-methoxyphenyl)-2-methylpropan-1-ol

1-(3-methoxyphenyl)-2-methylpropan-1-ol

C11H16O2 (180.115)


   

2-NORBORNYL METHACRYLATE

2-NORBORNYL METHACRYLATE

C11H16O2 (180.115)


   

4-(Benzylamino)-4-oxobutanoic acid

4-(Benzylamino)-4-oxobutanoic acid

C8H12N4O (180.1011)


   

2-adamantanecarboxylic acid

2-adamantanecarboxylic acid

C11H16O2 (180.115)


   

3 4-DIETHOXYTOLUENE

3 4-DIETHOXYTOLUENE

C11H16O2 (180.115)


   

Carbonic acid - guanidine (1:2)

Carbonic acid - guanidine (1:2)

C3H12N6O3 (180.0971)


   

Benzylmethoxydimethylsilane

Benzylmethoxydimethylsilane

C10H16OSi (180.097)


   

(Diethoxymethyl)benzene

Benzene,(diethoxymethyl)-

C11H16O2 (180.115)


   

1-fluoro-9-chlorononane

1-fluoro-9-chlorononane

C9H18ClF (180.1081)


   

(4E)-4-[amino(nitroso)methylidene]-N,N-dimethyl-1H-pyridin-2-amine

(4E)-4-[amino(nitroso)methylidene]-N,N-dimethyl-1H-pyridin-2-amine

C8H12N4O (180.1011)


   

Bicyclo[2.2.1]heptane-1-carboxylicacid, 3,3-dimethyl-2-methylene-

Bicyclo[2.2.1]heptane-1-carboxylicacid, 3,3-dimethyl-2-methylene-

C11H16O2 (180.115)


   

POLY(3-CYCLOHEXYL-4-METHYLTHIOPHENE-2 5&

POLY(3-CYCLOHEXYL-4-METHYLTHIOPHENE-2 5&

C11H16S (180.0973)


   

4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-6(2H)benzofuranone

4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-6(2H)benzofuranone

C11H16O2 (180.115)


   

1-hydroxymethyl-4-oxoadamantane

1-hydroxymethyl-4-oxoadamantane

C11H16O2 (180.115)


   

2-(3-FLUOROPHENYL)-PIPERAZINE

2-(3-FLUOROPHENYL)-PIPERAZINE

C10H13FN2 (180.1063)


   

1-(2-Fluorophenyl)piperazine

1-(2-Fluorophenyl)piperazine

C10H13FN2 (180.1063)


   

4-TRIMETHYLSILANYLMETHYL-PHENOL

4-TRIMETHYLSILANYLMETHYL-PHENOL

C10H16OSi (180.097)


   

(4-tert-Butoxyphenyl)methanol

(4-tert-Butoxyphenyl)methanol

C11H16O2 (180.115)


   
   

3-(4-Morpholinyl)-2-pyrazinamine

3-(4-Morpholinyl)-2-pyrazinamine

C8H12N4O (180.1011)


   

2-(2H3)Methyl(2H5)naphthalene-1,4-dione

2-(2H3)Methyl(2H5)naphthalene-1,4-dione

C11D8O2 (180.1026)


   

(3-TERT-BUTOXY-PHENYL)-METHANOL

(3-TERT-BUTOXY-PHENYL)-METHANOL

C11H16O2 (180.115)


   

1,3-bis(2-hydroxyethoxy)propan-2-ol

1,3-bis(2-hydroxyethoxy)propan-2-ol

C7H16O5 (180.0998)


   

1-ADAMANTYLPHOSPHAETHYNE

1-ADAMANTYLPHOSPHAETHYNE

C11H17P (180.1068)


   

1-(4-aminopyrimidin-2-yl)pyrrolidin-3-ol

1-(4-aminopyrimidin-2-yl)pyrrolidin-3-ol

C8H12N4O (180.1011)


   

2,4-xylidinium acetate

2,4-xylidinium acetate

C10H14NO2 (180.1024)


   

4-(tert-Butyl)benzyl mercaptan

4-(tert-Butyl)benzyl mercaptan

C11H16S (180.0973)


   

1-(3-FLUOROPHENYL)PIPERAZINE

1-(3-FLUOROPHENYL)PIPERAZINE

C10H13FN2 (180.1063)


   

(2E,4E,6Z)-Methyl deca-2,4,6-trienoate

(2E,4E,6Z)-Methyl deca-2,4,6-trienoate

C11H16O2 (180.115)


   

methyl (2E,4Z,6Z)-2,4,6-decatrienoate

methyl (2E,4Z,6Z)-2,4,6-decatrienoate

C11H16O2 (180.115)


   

2,3-Diamino-2,3-bis(hydroxymethyl)-1,4-butanediol

2,3-Diamino-2,3-bis(hydroxymethyl)-1,4-butanediol

C6H16N2O4 (180.111)


   

Trimethyl(p-tolyloxy)silane

Trimethyl(p-tolyloxy)silane

C10H16OSi (180.097)


   

Trimethyl(m-tolyloxy)silane

Trimethyl(m-tolyloxy)silane

C10H16OSi (180.097)


   

Silane, trimethyl(o-tolyloxy)-

Silane, trimethyl(o-tolyloxy)-

C10H16OSi (180.097)


   

tert-Butyl 2-methoxyphenyl ether

tert-Butyl 2-methoxyphenyl ether

C11H16O2 (180.115)


   

3-BHA

InChI=1\C11H16O2\c1-11(2,3)9-7-8(13-4)5-6-10(9)12\h5-7,12H,1-4H

C11H16O2 (180.115)


   

[(1R,3S,4R,6S)-3-azaniumyl-2,4,5,6-tetrahydroxycyclohexyl]azanium

[(1R,3S,4R,6S)-3-azaniumyl-2,4,5,6-tetrahydroxycyclohexyl]azanium

C6H16N2O4+2 (180.111)


   

(Z,S)-jasmololone

(Z,S)-jasmololone

C11H16O2 (180.115)


   

(8E)-undeca-1,8-dien-5-yne-3,7-diol

(8E)-undeca-1,8-dien-5-yne-3,7-diol

C11H16O2 (180.115)


   

(R)-salsolinol(1+)

(R)-salsolinol(1+)

C10H14NO2+ (180.1024)


A secondary ammonium ion that is the conjugate acid of (R)-salsolinol obtained by protonation of the amino group; major species at pH 7.3.

   

1,3-Phenylenediamine, N-trimethylsilyl-

1,3-Phenylenediamine, N-trimethylsilyl-

C9H16N2Si (180.1083)


   

1,2-Phenylenediamine, N-trimethylsilyl-

1,2-Phenylenediamine, N-trimethylsilyl-

C9H16N2Si (180.1083)


   

1,3,7-Trimethyl-1,2,3,7-tetrahydro-6H-purine-6-one

1,3,7-Trimethyl-1,2,3,7-tetrahydro-6H-purine-6-one

C8H12N4O (180.1011)


   

Methyl exo-7-methylbicyclo(4.1.0)hept-2-EN-endo-7-acetate

Methyl exo-7-methylbicyclo(4.1.0)hept-2-EN-endo-7-acetate

C11H16O2 (180.115)


   

2-tert-Butyl-4-hydroxyanisole

2-tert-Butyl-4-hydroxyanisole

C11H16O2 (180.115)


C26170 - Protective Agent > C275 - Antioxidant

   

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

(E)-5-(3,6-heptadienyl)-dihydro-2(3H)-furanone

C11H16O2 (180.115)


   

3-tert-Butyl-4-hydroxyanisole

3-tert-Butyl-4-hydroxyanisole

C11H16O2 (180.115)


An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.

   

tert-Butylmethyl catechol

tert-Butylmethyl catechol

C11H16O2 (180.115)


   

Undecatrienoic acid

Undecatrienoic acid

C11H16O2 (180.115)


   

methyl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate

methyl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate

C11H16O2 (180.115)


   

methyl (2e,4e,6z)-deca-2,4,6-trienoate

methyl (2e,4e,6z)-deca-2,4,6-trienoate

C11H16O2 (180.115)


   

methyl 2-[(1e)-2-(prop-1-en-2-yl)cyclopentylidene]acetate

methyl 2-[(1e)-2-(prop-1-en-2-yl)cyclopentylidene]acetate

C11H16O2 (180.115)


   

1-(butylsulfanyl)-4-methylbenzene

1-(butylsulfanyl)-4-methylbenzene

C11H16S (180.0973)


   

2(4h)-benzofuranone,5,6,7,7a-tetrahydro-4,4,7a-trimethyl-

NA

C11H16O2 (180.115)


{"Ingredient_id": "HBIN004391","Ingredient_name": "2(4h)-benzofuranone,5,6,7,7a-tetrahydro-4,4,7a-trimethyl-","Alias": "NA","Ingredient_formula": "C11H16O2","Ingredient_Smile": "CC1(CCCC2(C1=CC(=O)O2)C)C","Ingredient_weight": "180.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9056","PubChem_id": "157995","DrugBank_id": "NA"}

   

4-tert-Butyl-O-thiocresol

NA

C11H16S (180.0973)


{"Ingredient_id": "HBIN010924","Ingredient_name": "4-tert-Butyl-O-thiocresol","Alias": "NA","Ingredient_formula": "C11H16S","Ingredient_Smile": "CC1=C(C=CC(=C1)C(C)(C)C)S","Ingredient_weight": "180.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "84988","DrugBank_id": "NA"}

   

(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one

(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 81800-41-1

C11H16O2 (180.115)


{"Ingredient_id": "HBIN013057","Ingredient_name": "(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one","Alias": "(7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 81800-41-1","Ingredient_formula": "C11H16O2","Ingredient_Smile": "CC1(CCCC2(C1=CC(=O)O2)C)C","Ingredient_weight": "180.24","OB_score": "36.83663917","CAS_id": "81800-41-1","SymMap_id": "SMIT03823","TCMID_id": "NA","TCMSP_id": "MOL001387","TCM_ID_id": "NA","PubChem_id": "157995","DrugBank_id": "NA"}

   

Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone

2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698

C8H12N4O (180.1011)


{"Ingredient_id": "HBIN014421","Ingredient_name": "Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone","Alias": "2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698","Ingredient_formula": "C8H12N4O","Ingredient_Smile": "CC1=CC(=O)NC(=N1)NN=C(C)C","Ingredient_weight": "180.21","OB_score": "59.7049034","CAS_id": "66680-04-4","SymMap_id": "SMIT12537","TCMID_id": "NA","TCMSP_id": "MOL011666","TCM_ID_id": "NA","PubChem_id": "135460313","DrugBank_id": "NA"}

   

6-methoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one

6-methoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one

C11H16O2 (180.115)


   

(2s,3s,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-ol

(2s,3s,5r)-2-[(1e,3e)-hexa-1,3,5-trien-1-yl]-5-methyloxolan-3-ol

C11H16O2 (180.115)


   

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

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

C11H16O2 (180.115)


   

6-ethyl-3-(2-methylpropyl)pyran-2-one

6-ethyl-3-(2-methylpropyl)pyran-2-one

C11H16O2 (180.115)


   

(3e)-4-[(1r,2r,3r)-2-acetyl-2,3-dimethylcyclopropyl]but-3-en-2-one

(3e)-4-[(1r,2r,3r)-2-acetyl-2,3-dimethylcyclopropyl]but-3-en-2-one

C11H16O2 (180.115)


   

5-(but-3-en-1-yl)-3-propyl-5h-furan-2-one

5-(but-3-en-1-yl)-3-propyl-5h-furan-2-one

C11H16O2 (180.115)


   

(3s)-3-methoxy-4,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde

(3s)-3-methoxy-4,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde

C11H16O2 (180.115)


   

methyl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate

methyl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate

C11H16O2 (180.115)


   

(6s)-6-methoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one

(6s)-6-methoxy-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one

C11H16O2 (180.115)


   

2-butyl-6-methoxyphenol

2-butyl-6-methoxyphenol

C11H16O2 (180.115)


   

1-phenoxypentan-1-ol

1-phenoxypentan-1-ol

C11H16O2 (180.115)


   

3a,4,5,6a-tetramethyl-3h,6h-cyclopenta[b]furan-2-one

3a,4,5,6a-tetramethyl-3h,6h-cyclopenta[b]furan-2-one

C11H16O2 (180.115)


   

methyl (2e,4e)-deca-2,4,6-trienoate

methyl (2e,4e)-deca-2,4,6-trienoate

C11H16O2 (180.115)


   

(5r)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

(5r)-5-methoxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

C11H16O2 (180.115)


   

4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one

4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one

C11H16O2 (180.115)


   

methyl (2z,4e,6z)-deca-2,4,6-trienoate

methyl (2z,4e,6z)-deca-2,4,6-trienoate

C11H16O2 (180.115)


   

(+)-dihydroactinidiolide

(+)-dihydroactinidiolide

C11H16O2 (180.115)


   

methyl deca-2,4,6-trienoate

methyl deca-2,4,6-trienoate

C11H16O2 (180.115)


   

methyl 2,6-dimethylocta-2,4,6-trienoate

methyl 2,6-dimethylocta-2,4,6-trienoate

C11H16O2 (180.115)


   

3-[(1s)-1-hydroxypentyl]phenol

3-[(1s)-1-hydroxypentyl]phenol

C11H16O2 (180.115)


   

2-(3-methoxy-4-methylphenyl)propan-2-ol

2-(3-methoxy-4-methylphenyl)propan-2-ol

C11H16O2 (180.115)


   

2-isopropyl-4-methoxy-5-methylphenol

2-isopropyl-4-methoxy-5-methylphenol

C11H16O2 (180.115)


   

(3as,6ar)-3a,4,5,6a-tetramethyl-3h,6h-cyclopenta[b]furan-2-one

(3as,6ar)-3a,4,5,6a-tetramethyl-3h,6h-cyclopenta[b]furan-2-one

C11H16O2 (180.115)


   

3-methoxy-4,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde

3-methoxy-4,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde

C11H16O2 (180.115)


   

2-(hexa-1,3,5-trien-1-yl)-5-methyloxolan-3-ol

2-(hexa-1,3,5-trien-1-yl)-5-methyloxolan-3-ol

C11H16O2 (180.115)


   

methyl (4e)-deca-2,4,6-trienoate

methyl (4e)-deca-2,4,6-trienoate

C11H16O2 (180.115)


   

methyl (3z,5e,7e)-deca-3,5,7-trienoate

methyl (3z,5e,7e)-deca-3,5,7-trienoate

C11H16O2 (180.115)


   

methyl (2e,4z,6z)-deca-2,4,6-trienoate

methyl (2e,4z,6z)-deca-2,4,6-trienoate

C11H16O2 (180.115)


   

(5s)-5-(but-3-en-1-yl)-3-propyl-5h-furan-2-one

(5s)-5-(but-3-en-1-yl)-3-propyl-5h-furan-2-one

C11H16O2 (180.115)


   

2-(4-isopropylphenoxy)ethanol

2-(4-isopropylphenoxy)ethanol

C11H16O2 (180.115)


   

methyl (3e,5e,7z)-deca-3,5,7-trienoate

methyl (3e,5e,7z)-deca-3,5,7-trienoate

C11H16O2 (180.115)


   

3-(2-carboxyethyl)-1,4-dimethylpyridin-1-ium

3-(2-carboxyethyl)-1,4-dimethylpyridin-1-ium

[C10H14NO2]+ (180.1024)


   

4-(2-acetyl-2,3-dimethylcyclopropyl)but-3-en-2-one

4-(2-acetyl-2,3-dimethylcyclopropyl)but-3-en-2-one

C11H16O2 (180.115)


   

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

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

C11H16O2 (180.115)


   

6-methoxy-1-methyl-4-(prop-2-en-1-yl)cyclohexa-2,4-dien-1-ol

6-methoxy-1-methyl-4-(prop-2-en-1-yl)cyclohexa-2,4-dien-1-ol

C11H16O2 (180.115)


   

methyl (2e,4e,6e)-2,6-dimethylocta-2,4,6-trienoate

methyl (2e,4e,6e)-2,6-dimethylocta-2,4,6-trienoate

C11H16O2 (180.115)


   

(4ar,8s,8ar)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one

(4ar,8s,8ar)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one

C11H16O2 (180.115)


   

methyl (3e,5e)-deca-3,5,7-trienoate

methyl (3e,5e)-deca-3,5,7-trienoate

C11H16O2 (180.115)