CID 45480052

3-methyl-2-oxo-2,3-dihydro-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C(=CNC1=O)C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-7-3(4(8)9)2-6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)
InChIKey
PGJUXVGLUCTBMN-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

142.03784 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 124.5
[M+Na]+ 165.027058 134.6
[M-H]- 141.030564 123.7
[M+NH4]+ 160.071663 144.0
[M+K]+ 181.000998 132.7
[M+H-H2O]+ 125.035100 118.7
[M+HCOO]- 187.036041 145.5
[M+CH3COO]- 201.051691 167.1
[M+Na-2H]- 163.012506 128.7
[M]+ 142.03729142 123.9
[M]- 142.03838858 123.9
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