CID 566548

Piperidine, 1-((-phenylcyclopentyl)methyl)-

Structural Information

Molecular Formula
C17H25N
SMILES
C1CCN(CC1)CC2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H25N/c1-3-9-16(10-4-1)17(11-5-6-12-17)15-18-13-7-2-8-14-18/h1,3-4,9-10H,2,5-8,11-15H2
InChIKey
ILTQDIOPYLOHDA-UHFFFAOYSA-N
Compound name
1-[(1-phenylcyclopentyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 161.3
[M+Na]+ 266.18792 163.6
[M-H]- 242.19142 167.6
[M+NH4]+ 261.23252 179.8
[M+K]+ 282.16186 159.5
[M+H-H2O]+ 226.19596 152.0
[M+HCOO]- 288.19690 178.3
[M+CH3COO]- 302.21255 171.2
[M+Na-2H]- 264.17337 162.9
[M]+ 243.19815 152.9
[M]- 243.19925 152.9
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