CID 205442

4-(3-chloropropyl)pyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClN
SMILES
C1=CN=CC=C1CCCCl
InChI
InChI=1S/C8H10ClN/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2
InChIKey
AUGHIHYKUVKATF-UHFFFAOYSA-N
Compound name
4-(3-chloropropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

163
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 129.3
[M+Na]+ 178.03939 137.9
[M-H]- 154.04289 131.1
[M+NH4]+ 173.08399 149.8
[M+K]+ 194.01333 134.2
[M+H-H2O]+ 138.04743 123.6
[M+HCOO]- 200.04837 148.2
[M+CH3COO]- 214.06402 175.0
[M+Na-2H]- 176.02484 137.7
[M]+ 155.04962 131.1
[M]- 155.05072 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