2-Methylheptanoic acid

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Systematic / IUPAC Name: 2-Methylheptanoic acid

ID: Reference13914

Other Names: AA-4532

Formula: C8H16O2

Class: Endogenous Metabolites

Spectral Data

2-Methylheptanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 76
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 10:10:43 AM
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Identificators

InChI InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChI Key NKBWMBRPILTCRD-UHFFFAOYSA-N
Canonical SMILES CCCCCC(C)C(=O)O
CAS
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Other Names AA-4532

In Other Databases

HMDb HMDB0031587
ChemSpider 13821
LipidsMAPs LMFA01020391
ChEMBL CHEMBL1789306
PubChem 14475; 14475