CID 95493

5-carboxymethylidenehydantoin

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C(=C1C(=O)NC(=O)N1)C(=O)O
InChI
InChI=1S/C5H4N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h1H,(H,8,9)(H2,6,7,10,11)
InChIKey
DOIVUUCRTWRYDG-UHFFFAOYSA-N
Compound name
2-(2,5-dioxoimidazolidin-4-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.0171 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.024376 129.7
[M+Na]+ 179.006318 137.8
[M-H]- 155.009824 126.8
[M+NH4]+ 174.050923 147.4
[M+K]+ 194.980258 134.8
[M+H-H2O]+ 139.014360 124.0
[M+HCOO]- 201.015301 146.7
[M+CH3COO]- 215.030951 165.3
[M+Na-2H]- 176.991766 131.4
[M]+ 156.01655142 124.2
[M]- 156.01764858 124.2
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