CID 75728

2568-34-5

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: 142
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]+	194.081176	140.6
[M+Na]+	216.063118	146.5
[M-H]-	192.066624	144.2
[M+NH4]+	211.107723	159.4
[M+K]+	232.037058	146.1
[M+H-H2O]+	176.071160	134.3
[M+HCOO]-	238.072101	164.0
[M+CH3COO]-	252.087751	185.5
[M+Na-2H]-	214.048566	144.9
[M]+	193.07335142	141.1
[M]-	193.07444858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe