CID 426409

2-(carbamoylamino)propanoic acid

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CC(C(=O)O)NC(=O)N

InChI

InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)

InChIKey

LUSWEUMSEVLFEQ-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 295
Patents: 132.0535 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]+	133.06078	126.2
[M+Na]+	155.04272	131.9
[M-H]-	131.04622	124.9
[M+NH4]+	150.08732	146.1
[M+K]+	171.01666	132.4
[M+H-H2O]+	115.05076	121.0
[M+HCOO]-	177.05170	148.5
[M+CH3COO]-	191.06735	174.0
[M+Na-2H]-	153.02817	129.1
[M]+	132.05295	122.9
[M]-	132.05405	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe