CID 6445377

Piperidine, 1-(4-(o-chlorophenyl)-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H20ClN
SMILES
C1CCN(CC1)C/C=C/CC2=CC=CC=C2Cl
InChI
InChI=1S/C15H20ClN/c16-15-10-3-2-8-14(15)9-4-7-13-17-11-5-1-6-12-17/h2-4,7-8,10H,1,5-6,9,11-13H2/b7-4+
InChIKey
YFWVCLJQODALBS-QPJJXVBHSA-N
Compound name
1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12843 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.135706 159.2
[M+Na]+ 272.117648 164.3
[M-H]- 248.121154 162.7
[M+NH4]+ 267.162253 175.5
[M+K]+ 288.091588 158.2
[M+H-H2O]+ 232.125690 151.3
[M+HCOO]- 294.126631 173.1
[M+CH3COO]- 308.142281 192.1
[M+Na-2H]- 270.103096 162.4
[M]+ 249.12788142 156.4
[M]- 249.12897858 156.4
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.