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 163.6
[M+Na]+ 286.13329 168.1
[M-H]- 262.13679 167.1
[M+NH4]+ 281.17789 179.3
[M+K]+ 302.10723 162.1
[M+H-H2O]+ 246.14133 155.7
[M+HCOO]- 308.14227 176.2
[M+CH3COO]- 322.15792 195.9
[M+Na-2H]- 284.11874 165.1
[M]+ 263.14352 160.6
[M]- 263.14462 160.6
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.