CID 9115257

34582-41-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1=CC=C(C=C1)CNC(=O)NCC(=O)O

InChI

InChI=1S/C10H12N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)

InChIKey

LMIKEWSJMTUEKM-UHFFFAOYSA-N

Compound name

2-(benzylcarbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 208.0848 Da
Monoisotopic Mass: 0.5
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]+	209.09208	144.7
[M+Na]+	231.07402	149.5
[M-H]-	207.07752	146.7
[M+NH4]+	226.11862	161.8
[M+K]+	247.04796	147.8
[M+H-H2O]+	191.08206	137.9
[M+HCOO]-	253.08300	168.6
[M+CH3COO]-	267.09865	186.5
[M+Na-2H]-	229.05947	150.0
[M]+	208.08425	143.0
[M]-	208.08535	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe