CID 83910990

4-[1-(3-chlorophenyl)ethyl]piperidine

Structural Information

Molecular Formula
C13H18ClN
SMILES
CC(C1CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H18ClN/c1-10(11-5-7-15-8-6-11)12-3-2-4-13(14)9-12/h2-4,9-11,15H,5-8H2,1H3
InChIKey
BBMPCXVZCFFTJM-UHFFFAOYSA-N
Compound name
4-[1-(3-chlorophenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 151.0
[M+Na]+ 246.10200 156.0
[M-H]- 222.10550 153.6
[M+NH4]+ 241.14660 167.6
[M+K]+ 262.07594 150.5
[M+H-H2O]+ 206.11004 144.0
[M+HCOO]- 268.11098 162.9
[M+CH3COO]- 282.12663 185.8
[M+Na-2H]- 244.08745 153.7
[M]+ 223.11223 145.9
[M]- 223.11333 145.9
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

No patent data available for this compound.