CID 3854733

N-(anilinocarbonyl)alanine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(C(=O)O)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H12N2O3/c1-7(9(13)14)11-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)(H2,11,12,15)

InChIKey

SWIUEMANOAFYHY-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 208.0848 Da
Monoisotopic Mass: 0.9
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	146.1
[M+Na]+	231.07402	154.3
[M+NH4]+	226.11862	152.1
[M+K]+	247.04796	151.0
[M-H]-	207.07752	146.7
[M+Na-2H]-	229.05947	150.5
[M]+	208.08425	146.9
[M]-	208.08535	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe