CID 15008996

Ethyl 5-formyl-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CCOC(=O)C1=C(NC=N1)C=O
InChI
InChI=1S/C7H8N2O3/c1-2-12-7(11)6-5(3-10)8-4-9-6/h3-4H,2H2,1H3,(H,8,9)
InChIKey
HYBGPMFMANAJKW-UHFFFAOYSA-N
Compound name
ethyl 5-formyl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

168.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 133.0
[M+Na]+ 191.042718 141.9
[M-H]- 167.046224 133.0
[M+NH4]+ 186.087323 151.9
[M+K]+ 207.016658 140.5
[M+H-H2O]+ 151.050760 126.3
[M+HCOO]- 213.051701 154.9
[M+CH3COO]- 227.067351 173.7
[M+Na-2H]- 189.028166 137.5
[M]+ 168.05295142 134.6
[M]- 168.05404858 134.6
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