CID 16228681

Methyl 2-(chloromethyl)imidazo[1,2-a]pyridine-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC(=O)C1=CC=CN2C1=NC(=C2)CCl
InChI
InChI=1S/C10H9ClN2O2/c1-15-10(14)8-3-2-4-13-6-7(5-11)12-9(8)13/h2-4,6H,5H2,1H3
InChIKey
NSPJKKRBWJCDTM-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 144.2
[M+Na]+ 247.024468 156.1
[M-H]- 223.027974 146.8
[M+NH4]+ 242.069073 163.9
[M+K]+ 262.998408 152.1
[M+H-H2O]+ 207.032510 137.6
[M+HCOO]- 269.033451 162.8
[M+CH3COO]- 283.049101 186.3
[M+Na-2H]- 245.009916 150.3
[M]+ 224.03470142 150.6
[M]- 224.03579858 150.6
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

No patent data available for this compound.