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]+ 238.13571 155.5
[M+Na]+ 260.11765 159.4
[M-H]- 236.12115 158.8
[M+NH4]+ 255.16225 171.9
[M+K]+ 276.09159 154.6
[M+H-H2O]+ 220.12569 147.6
[M+HCOO]- 282.12663 168.5
[M+CH3COO]- 296.14228 190.4
[M+Na-2H]- 258.10310 158.8
[M]+ 237.12788 152.1
[M]- 237.12898 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.