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

19
Patents

180.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 134.3
[M+Na]+ 203.034648 145.9
[M-H]- 179.038154 136.4
[M+NH4]+ 198.079253 155.7
[M+K]+ 219.008588 141.1
[M+H-H2O]+ 163.042690 127.6
[M+HCOO]- 225.043631 153.6
[M+CH3COO]- 239.059281 148.6
[M+Na-2H]- 201.020096 142.7
[M]+ 180.04488142 138.4
[M]- 180.04597858 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