Systematic / IUPAC Name: Hexanoic acid
ID: Reference2710
Other Names:
n-Hexoic acid;
Capronic acid;
Hexacid 698;
Hexoic acid;
n-Caproic acid
; more
Formula: C6H12O2
Class: Endogenous Metabolites Extractables/Leachables Excipients/Additives/Colorants Textile Chemicals/Auxiliary/Dyes Industrial Chemicals
Hexanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 187 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI; NSI |
Analyzers | FT |
Last Modification | 4/28/2017 5:07:14 AM |
InChI | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
InChI Key | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
Canonical SMILES | CCCCCC(=O)O |
CAS | 142621 |
Splash | |
Other Names |
n-Hexoic acid; Capronic acid; Hexacid 698; Hexoic acid; n-Caproic acid; n-Hexanoic acid; n-Hexylic acid; 1-Hexanoic acid; 1-Pentanecarboxylic acid; Butylacetic acid; Caproic acid; Hexylic acid; Pentane-1-carboxylic acid; Pentanecarboxylic acid; Pentiformic acid; Pentylformic acid |
LipidsMAPs | LMFA01010006 |
HMDb | HMDB00535 |
ChemIDPlus | 000142621; 010051442; 067762361; 068603849; 038708951; 062728896; 070248258; 015773532 |
Wikipedia | Hexanoic acid |
KEGG | C01585 |
PubChem | 8892 |
ChemSpider | 8552 |
ChEBI | CHEBI:30776 |