CID 3039664

Piperidine, 1-(3-(4-biphenylyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C20H25N
SMILES
C1CCN(CC1)CCCC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-3-9-19(10-4-1)20-13-11-18(12-14-20)8-7-17-21-15-5-2-6-16-21/h1,3-4,9-14H,2,5-8,15-17H2
InChIKey
JBSMSJPFQBFLAS-UHFFFAOYSA-N
Compound name
1-[3-(4-phenylphenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 169.1
[M+Na]+ 302.18792 172.2
[M-H]- 278.19142 175.5
[M+NH4]+ 297.23252 182.6
[M+K]+ 318.16186 166.4
[M+H-H2O]+ 262.19596 158.8
[M+HCOO]- 324.19690 187.0
[M+CH3COO]- 338.21255 178.5
[M+Na-2H]- 300.17337 172.5
[M]+ 279.19815 163.9
[M]- 279.19925 163.9
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

patents stripe