CID 23424189

17245-63-5

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CN1C=C(N(C1=O)C)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-7-3-4(5(9)10)8(2)6(7)11/h3H,1-2H3,(H,9,10)
InChIKey
KEJXACDCOMURLL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxoimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

156.0535 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 127.3
[M+Na]+ 179.042718 138.4
[M-H]- 155.046224 128.2
[M+NH4]+ 174.087323 147.3
[M+K]+ 195.016658 137.2
[M+H-H2O]+ 139.050760 121.5
[M+HCOO]- 201.051701 149.5
[M+CH3COO]- 215.067351 173.9
[M+Na-2H]- 177.028166 130.9
[M]+ 156.05295142 129.4
[M]- 156.05404858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe