CID 111218

N-benzoyl-dl-glutamic acid

Structural Information

Molecular Formula

C₁₂H₁₃NO₅

SMILES

C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)

InChIKey

LPJXPACOXRZCCP-UHFFFAOYSA-N

Compound name

2-benzamidopentanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 733
Patents: 251.07938 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.08666	155.0
[M+Na]+	274.06860	158.8
[M-H]-	250.07210	155.3
[M+NH4]+	269.11320	169.4
[M+K]+	290.04254	157.4
[M+H-H2O]+	234.07664	148.3
[M+HCOO]-	296.07758	174.2
[M+CH3COO]-	310.09323	191.1
[M+Na-2H]-	272.05405	156.0
[M]+	251.07883	153.8
[M]-	251.07993	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe