CID 6445377

1-(4-(o-chlorophenyl)-2-butenyl)piperidine 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]+ 250.13571 159.2
[M+Na]+ 272.11765 164.3
[M-H]- 248.12115 162.7
[M+NH4]+ 267.16225 175.5
[M+K]+ 288.09159 158.2
[M+H-H2O]+ 232.12569 151.3
[M+HCOO]- 294.12663 173.1
[M+CH3COO]- 308.14228 192.1
[M+Na-2H]- 270.10310 162.4
[M]+ 249.12788 156.4
[M]- 249.12898 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.