CID 587740

Methyl 5-methyl-1h-imidazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=C(N=CN1)C(=O)OC
InChI
InChI=1S/C6H8N2O2/c1-4-5(6(9)10-2)8-3-7-4/h3H,1-2H3,(H,7,8)
InChIKey
IDGRFJQRPSMHHP-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

140.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 126.9
[M+Na]+ 163.047798 136.0
[M-H]- 139.051304 127.0
[M+NH4]+ 158.092403 147.1
[M+K]+ 179.021738 135.0
[M+H-H2O]+ 123.055840 120.5
[M+HCOO]- 185.056781 148.7
[M+CH3COO]- 199.072431 169.5
[M+Na-2H]- 161.033246 131.8
[M]+ 140.05803142 127.3
[M]- 140.05912858 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