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
5
Annotation Hits

53
References

1089
Patents

132.0535 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06078 125.5
[M+Na]+ 155.04272 131.4
[M-H]- 131.04622 124.2
[M+NH4]+ 150.08732 145.6
[M+K]+ 171.01666 131.5
[M+H-H2O]+ 115.05076 120.3
[M+HCOO]- 177.05170 148.9
[M+CH3COO]- 191.06735 173.0
[M+Na-2H]- 153.02817 129.8
[M]+ 132.05295 122.9
[M]- 132.05405 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe