α-Methylcinnamic acid

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Systematic / IUPAC Name: (E)-2-Methyl-3-phenylprop-2-enoic acid

ID: Reference13869

Other Names: AA-4452

Formula: C10H10O2

Class: Endogenous Metabolites

Spectral Data

α-Methylcinnamic 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 2
No. of Spectra 290
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/10/2026 12:37:30 PM
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Identificators

InChI InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChI Key XNCRUNXWPDJHGV-BQYQJAHWSA-N
Canonical SMILES C/C(=C\c1ccccc1)C(=O)O
CAS
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Other Names AA-4452

In Other Databases

HMDb HMDB0133594
PubChem 637817; 637817
ChEMBL CHEMBL3928021
ChemSpider 553403