CID 2764326

Methyl imidazo[1,2-a]pyridine-6-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

176.05858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.4
[M+Na]+ 199.047798 144.2
[M-H]- 175.051304 136.2
[M+NH4]+ 194.092403 154.0
[M+K]+ 215.021738 142.2
[M+H-H2O]+ 159.055840 126.5
[M+HCOO]- 221.056781 157.2
[M+CH3COO]- 235.072431 178.3
[M+Na-2H]- 197.033246 141.3
[M]+ 176.05803142 137.2
[M]- 176.05912858 137.2
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