2-Methylhydrocinnamic acid

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Systematic / IUPAC Name: 3-(2-Methylphenyl)propanoic acid

ID: Reference13911

Other Names: 3-o-Tolylpropanoic acid;
AA-4223

Formula: C10H12O2

Class: Endogenous Metabolites

Spectral Data

2-Methylhydrocinnamic 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 128
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 9:41:54 AM
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Identificators

InChI InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key JIRKNEAMPYVPTD-UHFFFAOYSA-N
Canonical SMILES Cc1ccccc1CCC(=O)O
CAS
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Other Names 3-o-Tolylpropanoic acid;
AA-4223

In Other Databases

PubChem 30938; 30938
ChEMBL CHEMBL2252086
ChemSpider 28703