CID 57245894

Methyl imidazo[1,5-a]pyridine-1-carboxylate

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C1=C2C=CC=CN2C=N1
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)8-7-4-2-3-5-11(7)6-10-8/h2-6H,1H3
InChIKey
JAHBFRLRXFGDFD-UHFFFAOYSA-N
Compound name
methyl imidazo[1,5-a]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.1
[M+Na]+ 199.04780 147.6
[M+NH4]+ 194.09240 142.2
[M+K]+ 215.02174 143.6
[M-H]- 175.05130 134.8
[M+Na-2H]- 197.03325 140.8
[M]+ 176.05803 136.1
[M]- 176.05913 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe