CID 12298751

5-amino-3-methyl-3h-imidazole-4-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)C1=C(N=CN1C)N
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-6(8)9-4-10(5)2/h4H,3,8H2,1-2H3
InChIKey
QJLWGJATIFSXTN-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

169.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 134.8
[M+Na]+ 192.074348 144.0
[M-H]- 168.077854 136.1
[M+NH4]+ 187.118953 154.3
[M+K]+ 208.048288 143.1
[M+H-H2O]+ 152.082390 127.9
[M+HCOO]- 214.083331 158.3
[M+CH3COO]- 228.098981 180.6
[M+Na-2H]- 190.059796 138.4
[M]+ 169.08458142 136.2
[M]- 169.08567858 136.2
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

patents stripe