CID 19689344

2-oxo-2,3-dihydro-1h-imidazole-4,5-dicarboxylic acid

Structural Information

Molecular Formula
C5H4N2O5
SMILES
C1(=C(NC(=O)N1)C(=O)O)C(=O)O
InChI
InChI=1S/C5H4N2O5/c8-3(9)1-2(4(10)11)7-5(12)6-1/h(H,8,9)(H,10,11)(H2,6,7,12)
InChIKey
ZCMFGAUGQICCIB-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydroimidazole-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

172.01202 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01930 130.3
[M+Na]+ 195.00124 139.2
[M-H]- 171.00474 126.9
[M+NH4]+ 190.04584 146.7
[M+K]+ 210.97518 136.6
[M+H-H2O]+ 155.00928 124.6
[M+HCOO]- 217.01022 147.8
[M+CH3COO]- 231.02587 167.1
[M+Na-2H]- 192.98669 132.4
[M]+ 172.01147 127.4
[M]- 172.01257 127.4
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