CID 957614

2-chloromethyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C8H7ClN2
SMILES
C1=CC2=NC(=CN2C=C1)CCl
InChI
InChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2
InChIKey
LBCREEUWXFNSAC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

437
Patents

166.02977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.6
[M+Na]+ 189.01899 141.6
[M-H]- 165.02249 131.8
[M+NH4]+ 184.06359 151.5
[M+K]+ 204.99293 137.1
[M+H-H2O]+ 149.02703 123.1
[M+HCOO]- 211.02797 149.2
[M+CH3COO]- 225.04362 144.3
[M+Na-2H]- 187.00444 138.6
[M]+ 166.02922 133.3
[M]- 166.03032 133.3
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