CID 205440

3-(3-chloropropyl)pyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClN
SMILES
C1=CC(=CN=C1)CCCCl
InChI
InChI=1S/C8H10ClN/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2
InChIKey
QRMAZKNPBZDWDH-UHFFFAOYSA-N
Compound name
3-(3-chloropropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
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

literature stripe

Patent stripe

patents stripe