CID 111

3-ureidopropionic acid

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

C(CNC(=O)N)C(=O)O

InChI

InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)

InChIKey

JSJWCHRYRHKBBW-UHFFFAOYSA-N

Compound name

3-(carbamoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 53
References: 1212
Patents: 132.0535 Da
Monoisotopic Mass: -1.5
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]+	133.060776	125.5
[M+Na]+	155.042718	131.4
[M-H]-	131.046224	124.2
[M+NH4]+	150.087323	145.6
[M+K]+	171.016658	131.5
[M+H-H2O]+	115.050760	120.3
[M+HCOO]-	177.051701	148.9
[M+CH3COO]-	191.067351	173.0
[M+Na-2H]-	153.028166	129.8
[M]+	132.05295142	122.9
[M]-	132.05404858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe