CID 131481226

2090810-87-8

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CN1C=NC(=C1C=O)C(=O)OC
InChI
InChI=1S/C7H8N2O3/c1-9-4-8-6(5(9)3-10)7(11)12-2/h3-4H,1-2H3
InChIKey
HEUSOAKVBOWOAI-UHFFFAOYSA-N
Compound name
methyl 5-formyl-1-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 131.3
[M+Na]+ 191.042718 141.7
[M-H]- 167.046224 133.1
[M+NH4]+ 186.087323 151.4
[M+K]+ 207.016658 141.1
[M+H-H2O]+ 151.050760 124.9
[M+HCOO]- 213.051701 154.8
[M+CH3COO]- 227.067351 177.5
[M+Na-2H]- 189.028166 135.7
[M]+ 168.05295142 135.2
[M]- 168.05404858 135.2
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

No patent data available for this compound.