CID 3711158

2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine

Structural Information

Molecular Formula
C12H17ClN2
SMILES
CC1CCCCN1CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)9-11-5-6-12(13)14-8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKey
GJJRFHPCKPHDSV-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

224.10803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11531 150.8
[M+Na]+ 247.09725 157.7
[M-H]- 223.10075 153.6
[M+NH4]+ 242.14185 167.0
[M+K]+ 263.07119 152.9
[M+H-H2O]+ 207.10529 142.5
[M+HCOO]- 269.10623 164.1
[M+CH3COO]- 283.12188 161.9
[M+Na-2H]- 245.08270 154.8
[M]+ 224.10748 148.5
[M]- 224.10858 148.5
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

No patent data available for this compound.