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]+ 224.120056 151.0
[M+Na]+ 246.101998 156.0
[M-H]- 222.105504 153.6
[M+NH4]+ 241.146603 167.6
[M+K]+ 262.075938 150.5
[M+H-H2O]+ 206.110040 144.0
[M+HCOO]- 268.110981 162.9
[M+CH3COO]- 282.126631 185.8
[M+Na-2H]- 244.087446 153.7
[M]+ 223.11223142 145.9
[M]- 223.11332858 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.