CID 6913732

Piperidine, 1-(3-chloro-4-phenyl-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H20ClN
SMILES
C1CCN(CC1)C/C=C(/CC2=CC=CC=C2)\Cl
InChI
InChI=1S/C15H20ClN/c16-15(13-14-7-3-1-4-8-14)9-12-17-10-5-2-6-11-17/h1,3-4,7-9H,2,5-6,10-13H2/b15-9-
InChIKey
APLOPYXUKPMEQX-DHDCSXOGSA-N
Compound name
1-[(Z)-3-chloro-4-phenylbut-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12843 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.135706 159.3
[M+Na]+ 272.117648 163.2
[M-H]- 248.121154 162.6
[M+NH4]+ 267.162253 175.2
[M+K]+ 288.091588 157.5
[M+H-H2O]+ 232.125690 151.3
[M+HCOO]- 294.126631 172.2
[M+CH3COO]- 308.142281 191.8
[M+Na-2H]- 270.103096 162.0
[M]+ 249.12788142 155.5
[M]- 249.12897858 155.5
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.