CID 13432302

Methyl 2-methyl-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=NC=C(N1)C(=O)OC
InChI
InChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKey
WPPRAPIAKXDXIP-UHFFFAOYSA-N
Compound name
methyl 2-methyl-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

140.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 126.9
[M+Na]+ 163.04780 136.0
[M-H]- 139.05130 127.0
[M+NH4]+ 158.09240 147.1
[M+K]+ 179.02174 135.0
[M+H-H2O]+ 123.05584 120.5
[M+HCOO]- 185.05678 148.7
[M+CH3COO]- 199.07243 169.5
[M+Na-2H]- 161.03325 131.8
[M]+ 140.05803 127.3
[M]- 140.05913 127.3
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