CID 15718181

2-(2-chloroethyl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C9H9ClN2
SMILES
C1=CC2=NC(=CN2C=C1)CCCl
InChI
InChI=1S/C9H9ClN2/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4-5H2
InChIKey
IPDKTIYNQLTIGA-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.3
[M+Na]+ 203.03465 145.9
[M-H]- 179.03815 136.4
[M+NH4]+ 198.07925 155.7
[M+K]+ 219.00859 141.1
[M+H-H2O]+ 163.04269 127.6
[M+HCOO]- 225.04363 153.6
[M+CH3COO]- 239.05928 148.6
[M+Na-2H]- 201.02010 142.7
[M]+ 180.04488 138.4
[M]- 180.04598 138.4
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