Exact Mass: 100.1461

Exact Mass Matches: 100.1461

Found 79 metabolites which its exact mass value is equals to given mass value 100.1461, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

N-Heptane

N-Heptane, ion (1+)

C7H16 (100.1252)


N-Heptane, also known as heptan or CH3-[CH2]5-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, N-heptane is considered to be a hydrocarbon lipid molecule. N-Heptane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. N-Heptane is a sweet, alkane, and ethereal tasting compound. N-heptane has been detected, but not quantified, in cardamoms and gingers. This could make N-heptane a potential biomarker for the consumption of these foods. This is done by shaking the stained paper in a heptane solution for about half a minute. N-Heptane is a potentially toxic compound. It was originally chosen as the zero point of the scale because of the availability of very high purity n-heptane, unmixed with other isomers of heptane or other alkanes, distilled from the resin of Jeffrey pine and from the fruit of Pittosporum resiniferum. As a liquid, it is ideal for transport and storage. The 2,2-dimethylpentane isomer can be prepared by reacting tert-butyl chloride with n-propyl magnesium bromide. The linear n-heptane can be obtained from Jeffrey pine oil. In water, both bromine and iodine appear brown. n-Heptane is the straight-chain alkane with the chemical formula H3C(CH2)5CH3 or C7H16. Heptane is an alkane hydrocarbon with the chemical formula CH3(CH2)8CH3. Heptane has 9 isomers, or 11 if enantiomers are counted. N-Heptane is found in cardamom and ginger.

   

Cyclohexylammonium

CYCLOHEXYLAMMONIUM ion

C6H14N+ (100.1126)


Cyclohexylammonium is classified as a member of the Cyclohexylamines. Cyclohexylamines are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group. Cyclohexylammonium is considered to be practically insoluble (in water) and basic

   

1-Aminopiperidine

piperidin-1-amine

C5H12N2 (100.1)


   

1-Methylpiperazine

1-Methylpiperazine monohydrochloride

C5H12N2 (100.1)


   

2-Methylhexane

2-METHYLHEXANE

C7H16 (100.1252)


   

2,4-Dimethylpentane

2,4-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-Methylhexane

3-Methyl-hexane

C7H16 (100.1252)


   

4-Aminopiperidine

piperidin-4-amine

C5H12N2 (100.1)


   

Homopiperazine

1H-1,4-diazepine, hexahydro-

C5H12N2 (100.1)


   

2,4-DIMETHYLPENTANE

2,4-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-ETHYLPENTANE

3-ETHYLPENTANE

C7H16 (100.1252)


An alkane that is pentane substituted by an ethyl group at position 3.

   

isoheptane

2-METHYLHEXANE

C7H16 (100.1252)


   

3,3-DIMETHYLPENTANE

3,3-DIMETHYLPENTANE

C7H16 (100.1252)


   

3-METHYLHEXANE

3-METHYLHEXANE

C7H16 (100.1252)


An alkane that is hexane substituted by a methyl group at position 3.

   

2,3-DIMETHYLPENTANE

2,3-DIMETHYLPENTANE

C7H16 (100.1252)


An alkane that is pentane substituted by a methyl group at positions 2 and 3.

   

2,2-DIMETHYLPENTANE

2,2-DIMETHYLPENTANE

C7H16 (100.1252)


   

2,2,3-TRIMETHYLBUTANE

2,2,3-TRIMETHYLBUTANE

C7H16 (100.1252)


   

methylpiperazine

1-Methylpiperazine

C5H12N2 (100.1)


   

N-Heptane

Dipropyl methane

C7H16 (100.1252)


A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).

   

N-(2-Aminomethyl)cyclopropanamine

N-(2-Aminomethyl)cyclopropanamine

C5H12N2 (100.1)


   

2-Methylpiperazine

2-Methylpiperazine

C5H12N2 (100.1)


   

2-(2H3)Methyl(2H4)pyridine

2-(2H3)Methyl(2H4)pyridine

C6D7N (100.1018)


   

(3S,4R)-4-Methylpyrrolidin-3-amine

(3S,4R)-4-Methylpyrrolidin-3-amine

C5H12N2 (100.1)


   

(2H7)Aniline

(2H7)Aniline

C6D7N (100.1018)


   

N-Methyl-3-pyrrolidinamine

N-Methyl-3-pyrrolidinamine

C5H12N2 (100.1)


   

1,4-Diazepane

1,4-Diazepane

C5H12N2 (100.1)


   

1,3-dimethyl-imidazolidine

1,3-dimethyl-imidazolidine

C5H12N2 (100.1)


   

(S)-3-(methylamino)pyrrolidine

(S)-3-(methylamino)pyrrolidine

C5H12N2 (100.1)


   

tetramethylsilane-d12

tetramethylsilane-d12

C4D12Si (100.1461)


   

Acetone Dimethylhydrazone

Acetone Dimethylhydrazone

C5H12N2 (100.1)


   

3-(AMINOMETHYL)PYRROLIDINE

3-(AMINOMETHYL)PYRROLIDINE

C5H12N2 (100.1)


   

(S)-PYRROLIDIN-2-YLMETHANAMINE

(2S)-Pyrrolidin-2-ylmethylamine

C5H12N2 (100.1)


   

3-methylpyrrolidin-3-amine

3-methylpyrrolidin-3-amine

C5H12N2 (100.1)


   

1,4-(2H8)Butane(2H2)diol

1,4-(2H8)Butane(2H2)diol

C4D10O2 (100.1308)


   

(R)-PYRROLIDIN-2-YLMETHANAMINE

(R)-PYRROLIDIN-2-YLMETHANAMINE

C5H12N2 (100.1)


   

1,1,2,3,3-pentadeuterio-1,2,3-trideuteriooxypropane

1,1,2,3,3-pentadeuterio-1,2,3-trideuteriooxypropane

C3D8O3 (100.0976)


   

2-(2H3)Methyl-2-[(2H3)methyloxy](2H6)propane

2-(2H3)Methyl-2-[(2H3)methyloxy](2H6)propane

C5D12O (100.1641)


   

4-(2H3)Methyl(2H4)pyridine

4-(2H3)Methyl(2H4)pyridine

C6D7N (100.1018)


   

(CYCLOBUTYLMETHYL)HYDRAZINE

(CYCLOBUTYLMETHYL)HYDRAZINE

C5H12N2 (100.1)


   

1-Methyl-3-pyrrolidinamine

1-Methyl-3-pyrrolidinamine

C5H12N2 (100.1)


   

(3S)-1-Methylpyrrolidin-3-amine

(3S)-1-Methylpyrrolidin-3-amine

C5H12N2 (100.1)


   

cyclopentane-1,3-diamine

cyclopentane-1,3-diamine

C5H12N2 (100.1)


   

1,2-Cyclopentanediamine

1,2-Cyclopentanediamine

C5H12N2 (100.1)


   

N,1-Dimethyl-3-azetidinamine

N,1-Dimethyl-3-azetidinamine

C5H12N2 (100.1)


   

1-(2H11)Pentan(2H)ol

1-(2H11)Pentan(2H)ol

C5D12O (100.1641)


   

N,N-dimethylazetidin-3-amine

N,N-dimethylazetidin-3-amine

C5H12N2 (100.1)


   

Diethyl methoxy borane

Diethyl methoxy borane

C5H13BO (100.1059)


   

(3R)-3-Piperidinamine

(3R)-3-Piperidinamine

C5H12N2 (100.1)


   

3-METHYL-BUTYRAMIDINE

3-METHYL-BUTYRAMIDINE

C5H12N2 (100.1)


   

(2S)-2-Methylpiperazine

(2S)-2-Methylpiperazine

C5H12N2 (100.1)


   

2-Piperidinamine

2-Piperidinamine

C5H12N2 (100.1)


   

2,2-DIMETHYLPROPIONAMIDINE

2,2-DIMETHYLPROPIONAMIDINE

C5H12N2 (100.1)


   

(S)-3-Aminopiperidine

(S)-3-Aminopiperidine

C5H12N2 (100.1)


   

3-Azetidinamine,3-ethyl-(9CI)

3-Azetidinamine,3-ethyl-(9CI)

C5H12N2 (100.1)


   

Pyrrolidin-2-ylmethanamine

[2-Pyrrolidinyl]methylamine

C5H12N2 (100.1)


   

3-AMINOPIPERIDINE

3-AMINOPIPERIDINE

C5H12N2 (100.1)


   

(1-Methylazetidin-3-yl)MethanaMine

(1-Methylazetidin-3-yl)MethanaMine

C5H12N2 (100.1)


   

1,3-Cyclopentanediamine,(1R,3R)-rel-(9CI)

1,3-Cyclopentanediamine,(1R,3R)-rel-(9CI)

C5H12N2 (100.1)


   

1-(AMINOMETHYL)CYCLOBUTANAMINE

1-(AMINOMETHYL)CYCLOBUTANAMINE

C5H12N2 (100.1)


   

3-(2H3)Methyl(2H4)pyridine

3-(2H3)Methyl(2H4)pyridine

C6D7N (100.1018)


   

Toluene-d8

Toluene-d8

C7D8 (100.1128)


   

(r)-(+)-2,3-Dimethylpentane

(r)-(+)-2,3-Dimethylpentane

C7H16 (100.1252)


   

(S)-2,3-dimethylpentane

(S)-2,3-dimethylpentane

C7H16 (100.1252)


   

Propanal, dimethylhydrazone

Propanal, dimethylhydrazone

C5H12N2 (100.1)


   

Acetone ethylhydrazone

Acetone ethylhydrazone

C5H12N2 (100.1)


   

Acetaldehyde, (1-methylethyl)hydrazone

Acetaldehyde, (1-methylethyl)hydrazone

C5H12N2 (100.1)


   

Methylhydrazone isobutyraldehyde

Methylhydrazone isobutyraldehyde

C5H12N2 (100.1)


   

FR-2384

Hexane, 2-methyl-

C7H16 (100.1252)


   

Eptani

InChI=1\C7H16\c1-3-5-7-6-4-2\h3-7H2,1-2H

C7H16 (100.1252)


   

617-78-7

InChI=1\C7H16\c1-4-7(5-2)6-3\h7H,4-6H2,1-3H

C7H16 (100.1252)


   

FR-2352

InChI=1\C7H16\c1-6(2)5-7(3)4\h6-7H,5H2,1-4H

C7H16 (100.1252)


   

3-Methylcyclopentanamine

3-Methylcyclopentanamine

C6H14N+ (100.1126)


   

2-Methylcyclopentammonium

2-Methylcyclopentammonium

C6H14N+ (100.1126)


   

Propylhydrazone acetaldehyde

Propylhydrazone acetaldehyde

C5H12N2 (100.1)


   

CYCLOHEXYLAMMONIUM ion

CYCLOHEXYLAMMONIUM ion

C6H14N+ (100.1126)


   

(3R)-2,3-dimethylpentane

(3R)-2,3-dimethylpentane

C7H16 (100.1252)


The (R)-enantiomer of 2,3-dimethylpentane.

   

(3S)-2,3-dimethylpentane

(3S)-2,3-dimethylpentane

C7H16 (100.1252)


The (S)-enantiomer of 2,3-dimethylpentane.

   

Cyclohexylammonium

Cyclohexylammonium

C6H14N (100.1126)


An ammonium ion resulting from the protonation of the amino group of cyclohexylamine.

   

Ethylpentane

Ethylpentane

C7H16 (100.1252)