Hydroxycaprylic acid
13844
Reference
Hydroxycaprylic acid Structure
Systematic / IUPAC Name: 2-Hydroxyoctanoic acid
ID: Reference13844
Other Names: AA-4312
Formula: C8H16O3
Class: Endogenous Metabolites
Spectral Data
Hydroxycaprylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 319 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/27/2026 9:35:31 PM |
Identificators
| InChI | InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) |
| InChI Key | JKRDADVRIYVCCY-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCC(O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | AA-4312 |
In Other Databases
| ChemSpider | 84994 |
| LipidsMAPs | LMFA01050020 |
| ChEMBL | CHEMBL4447980 |
| PubChem | 94180; 94180 |
| HMDb | HMDB0000711; HMDB0000711 |
| ChEBI | CHEBI:86543 |