CID 75728

N-methylhippuric acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CN(CC(=O)O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)

InChIKey

PKCSYDDSNIJRIX-UHFFFAOYSA-N

Compound name

2-[benzoyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 136
Patents: 193.0739 Da
Monoisotopic Mass: 1.0
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]+	194.08118	141.3
[M+Na]+	216.06312	151.4
[M+NH4]+	211.10772	148.2
[M+K]+	232.03706	147.3
[M-H]-	192.06662	142.2
[M+Na-2H]-	214.04857	146.8
[M]+	193.07335	142.6
[M]-	193.07445	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe