CID 6445383

1-(4-phenyl-2-butenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCN(CC1)C/C=C/CC2=CC=CC=C2
InChI
InChI=1S/C15H21N/c1-3-9-15(10-4-1)11-5-8-14-16-12-6-2-7-13-16/h1,3-5,8-10H,2,6-7,11-14H2/b8-5+
InChIKey
MVQKOXVSNARGIF-VMPITWQZSA-N
Compound name
1-[(E)-4-phenylbut-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 152.4
[M+Na]+ 238.15662 155.8
[M-H]- 214.16012 155.9
[M+NH4]+ 233.20122 168.9
[M+K]+ 254.13056 151.6
[M+H-H2O]+ 198.16466 143.9
[M+HCOO]- 260.16560 171.0
[M+CH3COO]- 274.18125 187.3
[M+Na-2H]- 236.14207 156.9
[M]+ 215.16685 147.1
[M]- 215.16795 147.1
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.