CID 10953941

149463-65-0

Structural Information

Molecular Formula
C9H12ClN
SMILES
C1=CN=CC=C1CCCCCl
InChI
InChI=1S/C9H12ClN/c10-6-2-1-3-9-4-7-11-8-5-9/h4-5,7-8H,1-3,6H2
InChIKey
OMVNWHFRVCCONY-UHFFFAOYSA-N
Compound name
4-(4-chlorobutyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

169.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.9
[M+Na]+ 192.05505 142.1
[M-H]- 168.05855 135.6
[M+NH4]+ 187.09965 153.9
[M+K]+ 208.02899 138.2
[M+H-H2O]+ 152.06309 128.0
[M+HCOO]- 214.06403 152.5
[M+CH3COO]- 228.07968 178.0
[M+Na-2H]- 190.04050 141.8
[M]+ 169.06528 136.2
[M]- 169.06638 136.2
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