4-Ethyloctanoic acid

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Systematic / IUPAC Name: 4-Ethyloctanoic acid

ID: Reference13931

Other Names: AA-4555

Formula: C10H20O2

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 275
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2026 8:57:06 AM
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Identificators

InChI InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key PWKJMPFEQOHBAC-UHFFFAOYSA-N
Canonical SMILES CCCCC(CC)CCC(=O)O
CAS
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Other Names AA-4555

In Other Databases

LipidsMAPs LMFA01030983
ChEMBL CHEMBL1789171
ChemSpider 55713
PubChem 61840; 61840
HMDb HMDB0036136