CID 6913731

1-(3-chloro-4-(p-tolyl)-2-butenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H22ClN
SMILES
CC1=CC=C(C=C1)C/C(=C/CN2CCCCC2)/Cl
InChI
InChI=1S/C16H22ClN/c1-14-5-7-15(8-6-14)13-16(17)9-12-18-10-3-2-4-11-18/h5-9H,2-4,10-13H2,1H3/b16-9-
InChIKey
DNCLEQGXOZBEBE-SXGWCWSVSA-N
Compound name
1-[(Z)-3-chloro-4-(4-methylphenyl)but-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14407 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15135 163.7
[M+Na]+ 286.13329 177.2
[M+NH4]+ 281.17789 172.9
[M+K]+ 302.10723 167.8
[M-H]- 262.13679 168.0
[M+Na-2H]- 284.11874 171.1
[M]+ 263.14352 167.1
[M]- 263.14462 167.1
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.