CID 179113

2-(3-chloropropyl)pyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClN
SMILES
C1=CC=NC(=C1)CCCCl
InChI
InChI=1S/C8H10ClN/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6H2
InChIKey
JSOHEMPXGOUNET-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

155.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.5
[M+Na]+ 178.03939 144.3
[M+NH4]+ 173.08399 139.4
[M+K]+ 194.01333 135.8
[M-H]- 154.04289 132.2
[M+Na-2H]- 176.02484 138.3
[M]+ 155.04962 132.8
[M]- 155.05072 132.8
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