Exact Mass: 84.053355334

Exact Mass Matches: 84.053355334

Found 229 metabolites which its exact mass value is equals to given mass value 84.053355334, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Amitrole

2,3-dihydro-1H-1,2,4-triazol-3-imine

C2H4N4 (84.0435944)


CONFIDENCE standard compound; INTERNAL_ID 8107 CONFIDENCE standard compound; INTERNAL_ID 2792 D004791 - Enzyme Inhibitors KEIO_ID A045

   

3-Methyl-2-butenal

β,β-Dimethylacrylic aldehyde

C5H8O (84.0575118)


3-Methyl-2-butenal, also known as senecialdehyde or 3,3-dimethylacrolein, belongs to the class of organic compounds known as enals. These are alpha,beta-unsaturated aldehydes of the general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. 3-methyl-2-butenal has been detected, but not quantified, in several different foods, such as common oregano, beechnuts, oval-leaf huckleberries, tea leaf willows, and red rice. This could make 3-methyl-2-butenal a potential biomarker for the consumption of these foods. 3-Methyl-2-butenal is a derivative of acrolein that is an alpha, beta-unsaturated carbonyl metabolite. It can be formed endogenously during lipid peroxidation or after oxidative stress, and is considered to play an important role in human carcinogenesis. The endogenously formed acroleins are a constant source of DNA damage, can lead to mutation, and can also induce tumours in humans (PMID:8319634). 3-Methyl-2-butenal, which is an unsaturated aldehyde bearing substitution at the alkene terminus, is a poor inactivator of the enzymes protein tyrosine phosphatases (PTPs). The inactivation of PTPs can yield profound biological consequences arising from the disruption of cellular signalling pathways (PMID:17655273). Present in blackberry, grape brandy, cocoa, currants, baked potato, tea, costmary and white bread. Flavouring ingredient

   

Cyclopentanone

3-Acetyl-6-methyl-pyran-2,4(3H)-dione

C5H8O (84.0575118)


Cyclopentanone belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Cyclopentanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, cyclopentanone is considered to be an oxygenated hydrocarbon lipid molecule. Cyclopentanone is a cyclic ketone, structurally similar to cyclopentane, consisting of a five-membered ring containing a ketone functional group. Cyclopentanone is a colorless liquid organic compound with a peppermint-like odor. Cyclopentanone is found in various foods, including potato and tomato, and cooked foods, e.g. butter, meats, coffee, roasted peanut. Cyclopentanone is also used as a flavouring ingredient. Found in various foods, including potato and tomato, and cooked foods, e.g. butter, meats, coffee, roasted peanut. Flavouring ingredient

   

4-Hydroxybut-2-ynal

4-Hydroxy-2-butynal; 4-Hydroxybut-2-ynal

C4H4O2 (84.0211284)


   

3-Butynoate

3-Butynoate; But-3-ynoate

C4H4O2 (84.0211284)


   

1-Methylpyrrolinium

1-Methyl-delta(1)-pyrrolinium, 2-(14)C-labeled

C5H10N1+ (84.08132)


This compound belongs to the family of Pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.

   

Imidazolone

4,5-dihydro-1H-imidazol-5-one

C3H4N2O (84.0323614)


Imidazolone is one of the major advanced glycation end (AGE) products, that accumulate in neurons in different areas of human brain tissue localized especially in human pyramidal CA4 neurons in the hippocampus in an age-dependent manner.(PubMed ID 12406185 ) [HMDB] Imidazolone is one of the major advanced glycation end (AGE) products that accumulate in neurons in different areas of human brain tissue localized especially in human pyramidal CA4 neurons in the hippocampus in an age-dependent manner (PMID: 12406185).

   

Cyclohexan

hexahydro-Benzene

C6H12 (84.09389519999999)


Diluent in colour additive mixtures for food use. Cyclohexane is found in kohlrabi. Cyclohexane is found in kohlrabi. Diluent in colour additive mixtures for food us Cyclohexane appears as a clear colorless liquid with a petroleum-like odor. Used to make nylon, as a solvent, paint remover, and to make other chemicals. Flash point -4 °F. Density 6.5 lb / gal (less than water) and insoluble in water. Vapors heavier than air. Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a cycloalkane and a volatile organic compound. Cyclohexane is an organic compound with the molecular formula C6H12. It is a colorless, flammable liquid with a distinctive sweet odor. Cyclohexane is a saturated hydrocarbon, consisting of a six-membered ring of carbon atoms, with each carbon atom bonded to two hydrogen atoms. The carbon-carbon bonds in the ring are of equal length and angle, giving cyclohexane a regular, symmetrical structure. Due to its ring structure, cyclohexane is more stable than the open-chain aliphatic hydrocarbons with the same number of carbon atoms. It is widely used in industry as a solvent for oils, waxes, and alkaloids, and as a starting material in the production of various chemicals, including adipic acid, cyclohexanol, and cyclohexene. Cyclohexane is also used in the manufacturing of nylon and other synthetic fibers. Cyclohexane exhibits a unique conformational behavior, where it can exist in several different forms, known as conformers. The two most stable conformers are the chair form and the boat form. The chair conformation is the most stable and is characterized by alternating axial and equatorial hydrogen atoms, while the boat conformation has two pairs of hydrogen atoms that are close together, creating strain in the molecule. In terms of its physical properties, cyclohexane has a boiling point of around 80.7°C and a melting point of approximately 6.47°C. It is relatively insoluble in water but miscible with many organic solvents. Cyclohexane is non-polar and therefore does not dissolve ionic compounds or highly polar molecules. Cyclohexane. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=110-82-7 (retrieved 2024-07-12) (CAS RN: 110-82-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

4-Hydroxy-2-butenoic acid gamma-lactone

2-Butenoic acid, 4-hydroxy-, laquo gammaraquo -lactone

C4H4O2 (84.0211284)


4-Hydroxy-2-butenoic acid gamma-lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants 2(5H)-Furanone is an endogenous metabolite.

   

Furanone A

4-Hydroxy-3-butenoic acid gamma-lactone

C4H4O2 (84.0211284)


Furanone a, also known as alpha-Crotonolactone or 2-Furanone, is classified as a member of the butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. Furanone a is considered to be a soluble (in water) and an extremely weak acidic compound. Furanone a can be found in feces. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants

   

1H-imidazol-2(3H)-one

1,3-Dihydroimidazol-2-one

C3H4N2O (84.0323614)


   

2-Methyl-2-vinyloxirane

(3R)-3,4-epoxy-3-methylbut-1-ene

C5H8O (84.0575118)


   

1-Penten-3-one

1-Penten-3-one (ethyl vinyl ketone)

C5H8O (84.0575118)


1-Penten-3-one, also known as ethylvinyl ketone or pentenone, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Thus, 1-penten-3-one is considered to be an oxygenated hydrocarbon lipid molecule. It exists as a clear, colorless oil with a boiling point of 68-70 oC. 1-Penten-3-one is a very hydrophobic molecule, practically insoluble in water, but soluble in most organic solvents. 1-Penten-3-one has a spicy, pungent, peppery odor that is also described as being mustard-like, garlic-like or onion-like, This compound also has a peppery, garlic-like, allium-like, mustard-like or onion-like taste. 1-Penten-3-one has been found in the volatile components of human feces (PMID: 21386183) and saliva (PMID: 24421258). Outside of the human body, 1-Penten-3-one has been detected, but not quantified in, several different foods, such as banana fruit, beef, butter, chives, clams, fish, grapes, grapefruit juice, kiwi fruit, milk, oranges, peaches, potatoes, soybeans, strawberries, black tea and tomatoes. Present in banana, orange peel oil, grapefruit juice, wine grape, peach, fish oil, chicken fat, black tea, soybean, lovage leaf, endive, oyster, clam and cooked beef. 1-Penten-3-one is found in many foods, some of which are asian pear, mango, peppermint, and hard wheat.

   

Methylcyclopentane

Methylpentamethylene

C6H12 (84.09389519999999)


Methylcyclopentane, also known as methylpentamethylene, belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). Methylcyclopentane has been detected, but not quantified, in celeriacs and celery stalks. This could make methylcyclopentane a potential biomarker for the consumption of these foods. At high amounts methylcyclopentane is a potentially toxic compound and central nervous system depression may occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Methylcyclopentane is a volatile component of petroleum distillates. Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. Treatment is mainly symptomatic and supportive. Petroleum distillates are also irritating to the skin. Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. Isolated from Helianthus annuus (sunflower).

   

Methyl propenyl ketone

3-Penten-2-one (methyl vinyl ketone)

C5H8O (84.0575118)


Methyl propenyl ketone, also known as (3E)-3-penten-2-one or 2-oxo-3-pentene, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Thus, methyl propenyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Methyl propenyl ketone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Methyl propenyl ketone, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis. Methyl propenyl ketone has also been linked to the inborn metabolic disorder celiac disease. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. Methyl propenyl ketone is a volatile organic compound.

   

Tiglic aldehyde

Crotonaldehyde, 2-methyl-, (e)- (8ci)

C5H8O (84.0575118)


Tiglic aldehyde is found in animal foods. Tiglic aldehyde is isolated from chives (Allium schoenoprasum). Also present in onion, tomato, cheeses, Scotch, spearmint oil, tangerine peel oil, cooked chicken and other foods. Tiglic aldehyde is a flavour ingredient trans-2-Methyl-2-butenal is an organic compound with the formula CH3CH=C(CH3)CHO. This colorless liquid is a building block in organic synthesis. It is an , -unsaturated aldehyde related to the better known crotonaldehyde Isolated from chives (Allium schoenoprasum)and is also present in onion, tomato, cheeses, Scotch, spearmint oil, tangerine peel oil, cooked chicken and other foods. Flavour ingredient

   

xi-2,3-Dihydro-3-methylfuran

xi-2,3-Dihydro-3-methylfuran

C5H8O (84.0575118)


xi-2,3-Dihydro-3-methylfuran is found in root vegetables. xi-2,3-Dihydro-3-methylfuran is a constituent of licorice root (Glycyrrhiza glabra). Constituent of licorice root (Glycyrrhiza glabra). xi-2,3-Dihydro-3-methylfuran is found in root vegetables.

   

2-Pentenal

(2Z)-pent-2-enal

C5H8O (84.0575118)


2-Pentenal is found in cereals and cereal products. 2-Pentenal is found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. 2-Pentenal is a flavouring ingredien Found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. Flavouring ingredient

   

3-Methyl-3-buten-2-one

3- Methyl-3- butene-2- one (methyl isopropenyl ketone)

C5H8O (84.0575118)


3-Methyl-3-buten-2-one is listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported us Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use

   

Thiophene

POLY(THIOPHENE-2,5-DIYL), BR TERMINATED

C4H4S (84.0033704)


Thiophene is a maillard product. At room temperature, thiophene is a colorless liquid with a mildly pleasant odor reminiscent of benzene, with which thiophene shares some similarities. The high reactivity of thiophene toward sulfonation is the basis for the separation of thiophene from benzene, which are difficult to separate by distillation due to their similar boiling points (4 °C difference at ambient pressure). Like benzene, thiophene forms an azeotrope with water. Not only is thiophene reactive toward electrophiles, it is also readily lithiated with butyl lithium to give 2-lithiothiophene, which is a precursor to a variety of derivatives, including dithienyl Maillard product

   

4-Penten-2-one

Allyl methyl ketone

C5H8O (84.0575118)


4-Penten-2-one is found in fruits. 4-Penten-2-one is a constituent of Tamarindus indica (tamarind) Constituent of Tamarindus indica (tamarind). 4-Penten-2-one is found in fruits and tamarind.

   

4-Pentenal

Pent-4-enal

C5H8O (84.0575118)


4-Pentenal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

2,3-Dihydro-4-methylfuran

2,3-dihydro-4-Methyl-furan

C5H8O (84.0575118)


2,3-Dihydro-4-methylfuran is found in animal foods. 2,3-Dihydro-4-methylfuran is a constituent of volatiles from cooked ham and beef and of oil from licorice roots (Glycyrrhiza glabra). Constituent of volatiles from cooked ham and beef and of oil from licorice roots (Glycyrrhiza glabra). 2,3-Dihydro-4-methylfuran is found in animal foods and root vegetables.

   

2-(Dimethylamino)acetonitrile

2-(Dimethylamino)acetonitrile

C4H8N2 (84.0687448)


2-(Dimethylamino)acetonitrile belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.

   
   

1,4-Diamino-2-butyne

but-2-yne-1,4-diamine

C4H8N2 (84.0687448)


   

1,4-Dioxin

1,4-dioxine

C4H4O2 (84.0211284)


   

1H-Phosphole

1H-Phospholeaindene

C4H5P (84.01288600000001)


   

1H-Pyrazol-3-ol

1,2-Dihydro-3H-pyrazol-3-one

C3H4N2O (84.0323614)


   

2-Cyanoacetamide

acetamide, 2-cyano-

C3H4N2O (84.0323614)


   

Tetrahydrofuranylmethyl

Tetrahydrofuranylmethyl

C5H8O (84.0575118)


   

3-Hydroxycyclobut-2-en-1-one

3-Hydroxycyclobut-2-en-1-one

C4H4O2 (84.0211284)


   

1H-1,2,3-Triazol-4-amine

1H-1,2,3-Triazol-4-amine

C2H4N4 (84.0435944)


   

4-Methyl-1-pentene

Poly(4-methyl-1-pentene)

C6H12 (84.09389519999999)


   

4-Amino-1,2,4-triazole

4H-1,2,4-triazole, 4-amino-

C2H4N4 (84.0435944)


   

But-2-enedial

2-butene-1,4-dial

C4H4O2 (84.0211284)


   

Cyanoguanidine

Guanidine-1-carbonitrile

C2H4N4 (84.0435944)


   

Diketene

4-methylideneoxetan-2-one

C4H4O2 (84.0211284)


   

N-Acetylcyanamide

N-acetylcyanamide

C3H4N2O (84.0323614)


   

piperidino

piperidin-1-yl

C5H10N (84.08132)


   

tetrahydropyrimidine

1,2,3,4-tetrahydropyrimidine

C4H8N2 (84.0687448)


   

trans-2-pentenal

gamma-Methylcrotonaldehyde

C5H8O (84.0575118)


Trans-2-pentenal, also known as 3-ethyl-2-propenal or 3-ethylacrolein, is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Trans-2-pentenal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-2-pentenal can be found in a number of food items such as fruits, swiss chard, giant butterbur, and pear, which makes trans-2-pentenal a potential biomarker for the consumption of these food products.

   

2-(hydroxymethyl)cyclopropan-1-one

2-(hydroxymethyl)cyclopropan-1-one

C4H4O2 (84.0211284)


   

Penitricin D

Penitricin D

C4H4O2 (84.0211284)


   

1,1-dimethyl-propargyl alcohol|1,1-dimethylpropargyl alcohol|1,1-dimethylpropargylic alcohol|2-methyl-but-3-yn-2-ol|3-hydroxy-3-methylbut-1-yne|alpha,alpha-dimethylpropargyl alcohol|ethynyldimethylcarbinol

1,1-dimethyl-propargyl alcohol|1,1-dimethylpropargyl alcohol|1,1-dimethylpropargylic alcohol|2-methyl-but-3-yn-2-ol|3-hydroxy-3-methylbut-1-yne|alpha,alpha-dimethylpropargyl alcohol|ethynyldimethylcarbinol

C5H8O (84.0575118)


   

Pent-3-enal

Pent-3-enal

C5H8O (84.0575118)


   
   
   

2-methylcyclobutan-1-one

2-methylcyclobutan-1-one

C5H8O (84.0575118)


   
   

2-METHYLPENTENE

2-METHYL-1-PENTENE

C6H12 (84.09389519999999)


An alkene that is pent-1-ene carrying a methyl group at position 2.

   

2-HEXENE

InChI=1\C6H12\c1-3-5-6-4-2\h3,5H,4,6H2,1-2H3\b5-3

C6H12 (84.09389519999999)


   

4-METHYL-1-PENTENE

1-Pentene, 4-methyl-

C6H12 (84.09389519999999)


   
   

4-pentyn-1-ol

4-pentyn-1-ol

C5H8O (84.0575118)


   

Methyl propenyl ketone

Methyl propenyl ketone

C5H8O (84.0575118)


An enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group.

   

CYCLOPENTANONE

CYCLOPENTANONE

C5H8O (84.0575118)


   

FEMA no. 3417

3-Penten-2-one (methyl vinyl ketone)

C5H8O (84.0575118)


   

Tiglaldehyde

Crotonaldehyde, 2-methyl-, (e)- (8ci)

C5H8O (84.0575118)


   

Methyl butenone

3- Methyl-3- butene-2- one (methyl isopropenyl ketone)

C5H8O (84.0575118)


   

Methyl cyclopentane

Methylcyclopentane [UN2298] [Flammable liquid]

C6H12 (84.09389519999999)


   

2-Pentenal

(2Z)-pent-2-enal

C5H8O (84.0575118)


2-pentenal is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. 2-pentenal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-pentenal is an apple, green, and orange tasting compound and can be found in a number of food items such as potato, cereals and cereal products, fishes, and pulses, which makes 2-pentenal a potential biomarker for the consumption of these food products.

   

Vinylacetone

Allyl methyl ketone

C5H8O (84.0575118)


   

Pentenone

1-Penten-3-one (ethyl vinyl ketone)

C5H8O (84.0575118)


   

4-Pentenal

Pent-4-enal

C5H8O (84.0575118)


   

3-Methyl-2,3-dihydrofuran

xi-2,3-Dihydro-3-methylfuran

C5H8O (84.0575118)


   

2,3-Dihydro-4-methylfuran

2,3-dihydro-4-Methyl-furan

C5H8O (84.0575118)


   
   

3E-pentene-2-one

3E-pentene-2-one

C5H8O (84.0575118)


   

4-Penten-2-one

PENT-4-EN-2-ONE

C5H8O (84.0575118)


A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.

   

1-Penten-3-one

1-Penten-3-one

C5H8O (84.0575118)


An enone that is pent-1-ene substituted by an oxo group at position 3.

   

Cyclopentene oxide

Cyclopentene oxide

C5H8O (84.0575118)


   

2-Pentyn-1-ol

2-Pentyn-1-ol

C5H8O (84.0575118)


   

1-Cyclopenten-4-ol

1-Cyclopenten-4-ol

C5H8O (84.0575118)


   

DIMETHYL SULFOXIDE-D6

DIMETHYL SULFOXIDE-D6

C2D6OS (84.051597668)


   

2-Pentene, 3-methyl-,(2Z)-

2-Pentene, 3-methyl-,(2Z)-

C6H12 (84.09389519999999)


   

2-Pentene, 4-methyl-,(2Z)-

2-Pentene, 4-methyl-,(2Z)-

C6H12 (84.09389519999999)


   
   
   

3-Methyl-1,2,5-oxadiazole

3-Methyl-1,2,5-oxadiazole

C3H4N2O (84.0323614)


   

2-Butynoic acid

2-Butynoic acid

C4H4O2 (84.0211284)


   

1,3-propanediol-d8

1,3-propanediol-d8

C3D8O2 (84.102644224)


   

Dimethylaminoacetonitrile

Dimethylaminoacetonitrile

C4H8N2 (84.0687448)


   

methylpropiolate

methylpropiolate

C4H4O2 (84.0211284)


   

2-Amino-2-methylpropanenitrile

2-Amino-2-methylpropanenitrile

C4H8N2 (84.0687448)


   

1H-Pyrazol-4-ol

1H-Pyrazol-4-ol

C3H4N2O (84.0323614)


   

trans-4-METHYL-2-PENTENE

trans-4-METHYL-2-PENTENE

C6H12 (84.09389519999999)


   
   

(S)-N-TERT-BUTYL-3-(4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL)-2-PHENYLPROPANAMIDEDIHYDROCHLORIDE

(S)-N-TERT-BUTYL-3-(4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL)-2-PHENYLPROPANAMIDEDIHYDROCHLORIDE

C5H8O (84.0575118)


   
   
   

1,3-Oxazol-5-amine

1,3-Oxazol-5-amine

C3H4N2O (84.0323614)


   
   
   

(S)-3-AMINOBUTANENITRILE

(S)-3-AMINOBUTANENITRILE

C4H8N2 (84.0687448)


   

2-cyclopropyloxirane

2-cyclopropyloxirane

C5H8O (84.0575118)


   

Oxazol-4-amine

Oxazol-4-amine

C3H4N2O (84.0323614)


   

3-Amino-2-methylpropiononitrile

3-Amino-2-methylpropiononitrile

C4H8N2 (84.0687448)


   

Pyridine-d5

Pyridine-d5

C5D5N (84.07358289)


   

3-aminobutanenitrile

3-aminobutanenitrile

C4H8N2 (84.0687448)


   

3-pentyn-2-ol

3-pentyn-2-ol

C5H8O (84.0575118)


   

4-Pentyn-2-ol

4-Pentyn-2-ol

C5H8O (84.0575118)


   

1H-Pyrazol-1-ol

1H-Pyrazol-1-ol

C3H4N2O (84.0323614)


   

3-Pentyn-1-ol

3-Pentyn-1-ol

C5H8O (84.0575118)


   

2-chloropropane-1,1,1,3,3,3-d6

2-chloropropane-1,1,1,3,3,3-d6

C3HClD6 (84.061288268)


   

5-METHYL-1H-TETRAZOLE

5-METHYL-1H-TETRAZOLE

C2H4N4 (84.0435944)


   

1-Butene - ethylene (1:1)

1-Butene - ethylene (1:1)

C6H12 (84.09389519999999)


   

ethyl-2,2,2-d3-amine hcl

ethyl-2,2,2-d3-amine hcl

C2H5ClD3N (84.053355334)


   

Ammonium acetate-d7

Ammonium acetate-d7

C2D7NO2 (84.091616446)


   

1,1,1-trideuterio-N-methylmethanamine,hydrochloride

1,1,1-trideuterio-N-methylmethanamine,hydrochloride

C2H5ClD3N (84.053355334)


   
   

2-cyclopropylacetaldehyde

2-cyclopropylacetaldehyde

C5H8O (84.0575118)


   

2-(Methylamino)propanenitrile

2-(Methylamino)propanenitrile

C4H8N2 (84.0687448)


   

1,4-Pentadien-3-ol

1,4-Pentadien-3-ol

C5H8O (84.0575118)


   

allyl vinyl ether

allyl vinyl ether

C5H8O (84.0575118)


   

2-Ethacrolein

2-Ethacrolein

C5H8O (84.0575118)


   

3H-Pyrazol-3-one,2,4-dihydro-

3H-Pyrazol-3-one,2,4-dihydro-

C3H4N2O (84.0323614)


   

trans-3-methyl-2-pentene

trans-3-methyl-2-pentene

C6H12 (84.09389519999999)


   
   

2-chloro-1,1,2,2-tetradeuterioethanol

2-chloro-1,1,2,2-tetradeuterioethanol

C2HClD4O (84.02799971200001)


   

2,3,5,6-tetradeuteriopyrazine

2,3,5,6-tetradeuteriopyrazine

C4D4N2 (84.062555112)


   

Cyclobutanecarbaldehyde

Cyclobutanecarbaldehyde

C5H8O (84.0575118)


   

2-Pentene, 4-methyl-,(2E)-

2-Pentene, 4-methyl-,(2E)-

C6H12 (84.09389519999999)


   

2-Pentene, 3-methyl-,(2E)-

2-Pentene, 3-methyl-,(2E)-

C6H12 (84.09389519999999)


   
   

2-Cyclopentenol

2-Cyclopentenol

C5H8O (84.0575118)


   
   

3-Methyl-4,5-dihydro-1H-pyrazole

3-Methyl-4,5-dihydro-1H-pyrazole

C4H8N2 (84.0687448)


   

3,6-dihydro-2H-pyran

3,6-dihydro-2H-pyran

C5H8O (84.0575118)


   

Isoxazol-5-amine

Isoxazol-5-amine

C3H4N2O (84.0323614)


   

Phenyllithium

Phenyllithium

C6H5Li (84.055128)


   

Oxazol-2-amine

Oxazol-2-amine

C3H4N2O (84.0323614)


   

3-Amino isoxazole

3-Amino isoxazole

C3H4N2O (84.0323614)


   

1,3-Butadiene,1-methoxy-

1,3-Butadiene,1-methoxy-

C5H8O (84.0575118)


   

2-methyl-2H-tetrazole

2-methyl-2H-tetrazole

C2H4N4 (84.0435944)


   

2-(HYDROXYIMINO)-PROPANENITRILE

2-(HYDROXYIMINO)-PROPANENITRILE

C3H4N2O (84.0323614)


   

1-pentyn-5-ol

1-pentyn-5-ol

C5H8O (84.0575118)


   
   

1,2-CYCLOBUTANEDIONE

1,2-CYCLOBUTANEDIONE

C4H4O2 (84.0211284)


   

1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane

1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane

C3D8O2 (84.102644224)


   

(S)-4-METHYL-2,5-OXAZOLIDINEDIONE

(S)-4-METHYL-2,5-OXAZOLIDINEDIONE

C5H8O (84.0575118)


   

1-Amino-1,2,4-triazole

1-Amino-1,2,4-triazole

C2H4N4 (84.0435944)


   

3,4-epoxy-2-methyl-1-butene

3,4-epoxy-2-methyl-1-butene

C5H8O (84.0575118)


   

1-Pentyn-3-ol

1-Pentyn-3-ol

C5H8O (84.0575118)


   

3,4-Dihydro-2H-pyran

3,4-Dihydro-2H-pyran

C5H8O (84.0575118)


   

5-Methyl-2,3-dihydrofuran

5-Methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   

N-Methyltetrazole

N-Methyltetrazole

C2H4N4 (84.0435944)


   

3-Methyl butynol

2-Methyl-3-butyn-2-OL

C5H8O (84.0575118)


   

Cyclopropyl methyl ketone

Cyclopropyl methyl ketone

C5H8O (84.0575118)


   

2-Amino-1-pyrroline

2-Amino-1-pyrroline

C4H8N2 (84.0687448)


   

3-Pentenal

3-Pentenal

C5H8O (84.0575118)


   

1,4,5,6-Tetrahydropyrimidine

1,4,5,6-Tetrahydropyrimidine

C4H8N2 (84.0687448)


   

3-Methylcyclobutanone

3-Methylcyclobutanone

C5H8O (84.0575118)


   
   

Cyclopropane,1,1,2-trimethyl-

Cyclopropane,1,1,2-trimethyl-

C6H12 (84.09389519999999)


   

1,2-Oxazol-4-amine

1,2-Oxazol-4-amine

C3H4N2O (84.0323614)


   

Lysidine

2-Methyl-2-imidazoline

C4H8N2 (84.0687448)


   

UNII:O364AQJ1K5

UNII:O364AQJ1K5

C5H8O (84.0575118)


   
   

(2-Methylenecyclopropyl)methanol

(2-Methylenecyclopropyl)methanol

C5H8O (84.0575118)


   

3-(Methylamino)propanenitrile

3-(Methylamino)propanenitrile

C4H8N2 (84.0687448)


   

Fumaraldehyde

Fumaraldehyde

C4H4O2 (84.0211284)


   
   

(Z)-2-Pentenal

(Z)-2-Pentenal

C5H8O (84.0575118)


   

2-Methylenetetrahydrofuran

2-Methylenetetrahydrofuran

C5H8O (84.0575118)


   

1,4-Diamino-2-butyne

1,4-Diamino-2-butyne

C4H8N2 (84.0687448)


   

tetrahydropyrimidine

tetrahydropyrimidine

C4H8N2 (84.0687448)


   

Malealdehyde

Malealdehyde

C4H4O2 (84.0211284)


   

Hexazine

Hexazine

N6 (84.018444)


   
   

5-Methyl-4,5-dihydro-1H-pyrazole

5-Methyl-4,5-dihydro-1H-pyrazole

C4H8N2 (84.0687448)


   
   

1-Methyl-1-(2-propynyl)hydrazine

1-Methyl-1-(2-propynyl)hydrazine

C4H8N2 (84.0687448)


   

Amitrole

3-amino-1,2,4-triazole

C2H4N4 (84.0435944)


D004791 - Enzyme Inhibitors

   

Hexene

InChI=1\C6H12\c1-3-5-6-4-2\h3H,1,4-6H2,2H

C6H12 (84.09389519999999)


   

Prenal

InChI=1\C5H8O\c1-5(2)3-4-6\h3-4H,1-2H

C5H8O (84.0575118)


   

WLN: 2V1U1

4-01-00-03457 (Beilstein Handbook Reference)

C5H8O (84.0575118)


   

LS-516

Cyclohexane, reaction product with oxygen, nonvolatile residue

C6H12 (84.09389519999999)


   

96-37-7

Methylcyclopentane [UN2298] [Flammable liquid]

C6H12 (84.09389519999999)


   

814-78-8

Methyl isopropenyl ketone, inhibited [UN1246] [Flammable liquid]

C5H8O (84.0575118)


   

Pentenal

gamma-Methylcrotonaldehyde

C5H8O (84.0575118)


   

Thiole

5-17-01-00297 (Beilstein Handbook Reference)

C4H4S (84.0033704)


   

34314-83-5

Furan, 2,3-dihydro-4-methyl-

C5H8O (84.0575118)


   

1487-15-6

Furan, 2,3-dihydro-5-methyl-

C5H8O (84.0575118)


   

(S)-3-methyl-2,3-dihydrofuran

(S)-3-methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   

2-Methyl-1-pyrrolinium

2-Methyl-1-pyrrolinium

C5H10N+ (84.08132)


   

1-Piperideinium

1-Piperideinium

C5H10N+ (84.08132)


   
   

CID 11966305

CID 11966305

N6- (84.018444)


   

Cyclopentanone-2,2,5,5-d4

Cyclopentanone-2,2,5,5-d4

C5H8O (84.0575118)


   

Silacyclopentane (2,2,5,5-D4)

Silacyclopentane (2,2,5,5-D4)

C4H8Si (84.03952480000001)


   

2(5H)-Furanone

2(5H)-Furanone

C4H4O2 (84.0211284)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants 2(5H)-Furanone is an endogenous metabolite.

   

3-Methyl-2-butenal

3-Methyl-2-butenal

C5H8O (84.0575118)


   

2(3H)-Furanone

2(3H)-Furanone

C4H4O2 (84.0211284)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants

   

4-imidazolone

4-imidazolone

C3H4N2O (84.0323614)


   

1-Methylpyrrolinium

1-Methyl-delta(1)-Pyrrolinium

C5H10N+ (84.08132)


An organic cation that is 1-pyrroline bearing an N-methyl substituent.

   

3-Butynoic acid

3-Butynoic acid

C4H4O2 (84.0211284)


   

(3R)-3,4-epoxy-3-methylbut-1-ene

(3R)-3,4-epoxy-3-methylbut-1-ene

C5H8O (84.0575118)


   

Cyclohexane

cyclohexane

C6H12 (84.09389519999999)


Cyclohexane appears as a clear colorless liquid with a petroleum-like odor. Used to make nylon, as a solvent, paint remover, and to make other chemicals. Flash point -4 °F. Density 6.5 lb / gal (less than water) and insoluble in water. Vapors heavier than air. Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a cycloalkane and a volatile organic compound. Cyclohexane is an organic compound with the molecular formula C6H12. It is a colorless, flammable liquid with a distinctive sweet odor. Cyclohexane is a saturated hydrocarbon, consisting of a six-membered ring of carbon atoms, with each carbon atom bonded to two hydrogen atoms. The carbon-carbon bonds in the ring are of equal length and angle, giving cyclohexane a regular, symmetrical structure. Due to its ring structure, cyclohexane is more stable than the open-chain aliphatic hydrocarbons with the same number of carbon atoms. It is widely used in industry as a solvent for oils, waxes, and alkaloids, and as a starting material in the production of various chemicals, including adipic acid, cyclohexanol, and cyclohexene. Cyclohexane is also used in the manufacturing of nylon and other synthetic fibers. Cyclohexane exhibits a unique conformational behavior, where it can exist in several different forms, known as conformers. The two most stable conformers are the chair form and the boat form. The chair conformation is the most stable and is characterized by alternating axial and equatorial hydrogen atoms, while the boat conformation has two pairs of hydrogen atoms that are close together, creating strain in the molecule. In terms of its physical properties, cyclohexane has a boiling point of around 80.7°C and a melting point of approximately 6.47°C. It is relatively insoluble in water but miscible with many organic solvents. Cyclohexane is non-polar and therefore does not dissolve ionic compounds or highly polar molecules. Cyclohexane. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=110-82-7 (retrieved 2024-07-12) (CAS RN: 110-82-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

pent-2-enal

pent-2-enal

C5H8O (84.0575118)


   

(E)-2-Pentenal

(E)-2-Pentenal

C5H8O (84.0575118)


A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.

   

Ethyl vinyl ketone

Ethyl vinyl ketone

C5H8O (84.0575118)


   

(3E)-Pent-3-en-2-one

(3E)-Pent-3-en-2-one

C5H8O (84.0575118)


A methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea.

   

THIOPHENE

POLY(THIOPHENE-2,5-DIYL), BR TERMINATED

C4H4S (84.0033704)


   

Cyanoguanidine

Cyanoguanidine

C2H4N4 (84.0435944)


   

METHYLCYCLOPENTANE

METHYLCYCLOPENTANE

C6H12 (84.09389519999999)


A cycloalkane that is cyclopentane substituted by a single methyl group.

   

Methyl isopropenyl ketone

Methyl isopropenyl ketone

C5H8O (84.0575118)


   

trans-Tiglaldehyde

trans-Tiglaldehyde

C5H8O (84.0575118)


   

4-Methyl-2,3-dihydrofuran

4-Methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   
   

3-Methylbut-2-enal

3-Methylbut-2-enal

C5H8O (84.0575118)


An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.

   

Butynoic acid

Butynoic acid

C4H4O2 (84.0211284)


   

Hydroxybutynal

Hydroxybutynal

C4H4O2 (84.0211284)


   

Methylbutenal

Methylbutenal

C5H8O (84.0575118)


   

But-3-en-4-olide

But-3-en-4-olide

C4H4O2 (84.0211284)


   

Hydroxybutenoic acid gamma-lactone

Hydroxybutenoic acid gamma-lactone

C4H4O2 (84.0211284)


   

Methylpyrrolinium

Methylpyrrolinium

C5H10N (84.08132)


   

2-hydroxy-3-methylidenecyclopropan-1-one

2-hydroxy-3-methylidenecyclopropan-1-one

C4H4O2 (84.0211284)


   

1-methoxy-1,2-butadiene

NA

C5H8O (84.0575118)


{"Ingredient_id": "HBIN002691","Ingredient_name": "1-methoxy-1,2-butadiene","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CC=C=COC","Ingredient_weight": "84.12 g/mol","OB_score": "52.76549297","CAS_id": "NA","SymMap_id": "SMIT07671","TCMID_id": "NA","TCMSP_id": "MOL005990","TCM_ID_id": "NA","PubChem_id": "57109763","DrugBank_id": "NA"}

   

2-pentyn-1-ol

NA

C5H8O (84.0575118)


{"Ingredient_id": "HBIN006305","Ingredient_name": "2-pentyn-1-ol","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CCC#CCO","Ingredient_weight": "84.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35247","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "80421","DrugBank_id": "NA"}

   

3-Penten-2-one

NA

C5H8O (84.0575118)


{"Ingredient_id": "HBIN009448","Ingredient_name": "3-Penten-2-one","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CC=CC(=O)C","Ingredient_weight": "84.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5356572","DrugBank_id": "NA"}

   

penta-2,3-dien-1-ol

penta-2,3-dien-1-ol

C5H8O (84.0575118)


   
   

2-butenal, 2-methyl-

2-butenal, 2-methyl-

C5H8O (84.0575118)


   

crotylaldehyde

crotylaldehyde

C5H8O (84.0575118)


   

(2r)-2-hydroxy-3-methylidenecyclopropan-1-one

(2r)-2-hydroxy-3-methylidenecyclopropan-1-one

C4H4O2 (84.0211284)


   

(2e)-2-pentenal

(2e)-2-pentenal

C5H8O (84.0575118)


   

cyanoacetamide

cyanoacetamide

C3H4N2O (84.0323614)


   

2-(hydroxymethyl)cycloprop-2-en-1-one

2-(hydroxymethyl)cycloprop-2-en-1-one

C4H4O2 (84.0211284)