CID 4172971

99329-70-1

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CNCCC1C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
InChIKey
XCXYPQUVIZEIMX-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

195.08148 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08876 142.0
[M+Na]+ 218.07070 148.1
[M-H]- 194.07420 144.9
[M+NH4]+ 213.11530 159.9
[M+K]+ 234.04464 142.7
[M+H-H2O]+ 178.07874 135.3
[M+HCOO]- 240.07968 155.6
[M+CH3COO]- 254.09533 153.4
[M+Na-2H]- 216.05615 147.0
[M]+ 195.08093 136.8
[M]- 195.08203 136.8
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