CID 782

5624-26-0

Structural Information

Molecular Formula
C6H8N2O4
SMILES
C(CC(=O)O)C1C(=O)NC(=O)N1
InChI
InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
InChIKey
VWFWNXQAMGDPGG-UHFFFAOYSA-N
Compound name
3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

175
Patents

172.0484 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05568 134.9
[M+Na]+ 195.03762 142.3
[M-H]- 171.04112 131.8
[M+NH4]+ 190.08222 152.0
[M+K]+ 211.01156 139.6
[M+H-H2O]+ 155.04566 129.0
[M+HCOO]- 217.04660 151.5
[M+CH3COO]- 231.06225 169.8
[M+Na-2H]- 193.02307 136.2
[M]+ 172.04785 130.6
[M]- 172.04895 130.6
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