3-Methylhippuric acid

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Systematic / IUPAC Name: 2-[(3-Methylbenzoyl)amino]acetic acid

ID: Reference166

Other Names: N-(3-Methylbenzoyl)glycine;
m-Methylhippuric acid;
3-Methylbenzoylglycine;
Glycine, N-(3-methylbenzoyl)-;
2-[(3-Methylphenyl)carbonylamino]acetic acid ; more

Formula: C10H11NO3

Class: Industrial Chemicals

Spectral Data

3-Methylhippuric 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 Elite
No. of Spectral Trees 2
No. of Spectra 233
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/12/2014 3:00:18 PM
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Identificators

InChI InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key YKAKNMHEIJUKEX-UHFFFAOYSA-N
Canonical SMILES O=C(c1cc(ccc1)C)NCC(=O)O
CAS 27115497
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Other Names N-(3-Methylbenzoyl)glycine;
m-Methylhippuric acid;
3-Methylbenzoylglycine;
Glycine, N-(3-methylbenzoyl)-;
2-[(3-Methylphenyl)carbonylamino]acetic acid;
Hippuric acid, m-methyl-;
N-[(3-Methylphenyl)carbonyl]glycine;
2-[(3-Methylphenyl)formamido]acetic acid;
m-Toluric acid;
N-(m-Toluoyl)glycine

In Other Databases

PubChem 99223
ChemSpider 89642
ChemIDPlus 027115497
ChEBI CHEBI:68500
HMDb HMDB13245
ChEMBL CHEMBL456202