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

164
Patents

155.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 129.3
[M+Na]+ 178.039388 137.9
[M-H]- 154.042894 131.1
[M+NH4]+ 173.083993 149.8
[M+K]+ 194.013328 134.2
[M+H-H2O]+ 138.047430 123.6
[M+HCOO]- 200.048371 148.2
[M+CH3COO]- 214.064021 175.0
[M+Na-2H]- 176.024836 137.7
[M]+ 155.04962142 131.1
[M]- 155.05071858 131.1
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