4- Carboxyphenylglycine

enlarge

Systematic / IUPAC Name: 4-[Amino(carboxy)methyl]benzoic acid

ID: Reference1684

Other Names: 4-Carboxylphenylglycine;
4-CPG;
4-(Amino-carboxy-methyl)-benzoic acid

Formula: C9H9NO4

Class: Endogenous Metabolites

Spectral Data

4- Carboxyphenylglycine 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 Elite
No. of Spectral Trees 1
No. of Spectra 156
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 2/12/2015 3:22:18 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)
InChI Key VTMJKPGFERYGJF-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(C(=O)O)N)C(=O)O
CAS
Splash
Other Names 4-Carboxylphenylglycine;
4-CPG;
4-(Amino-carboxy-methyl)-benzoic acid

In Other Databases

ChemSpider 4934
ChemIDPlus 007292811
ChEMBL CHEMBL328984
HMDb HMDB02016
PubChem 5115