CID 201854

7029-64-3

Structural Information

Molecular Formula
C14H20ClN
SMILES
C1CCN(CC1)C(CCCl)C2=CC=CC=C2
InChI
InChI=1S/C14H20ClN/c15-10-9-14(13-7-3-1-4-8-13)16-11-5-2-6-12-16/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey
DTNZEFUNBWIRIP-UHFFFAOYSA-N
Compound name
1-(3-chloro-1-phenylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.12843 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.135706 155.5
[M+Na]+ 260.117648 159.4
[M-H]- 236.121154 158.8
[M+NH4]+ 255.162253 171.9
[M+K]+ 276.091588 154.6
[M+H-H2O]+ 220.125690 147.6
[M+HCOO]- 282.126631 168.5
[M+CH3COO]- 296.142281 190.4
[M+Na-2H]- 258.103096 158.8
[M]+ 237.12788142 152.1
[M]- 237.12897858 152.1
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.