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]+ 244.205976 161.3
[M+Na]+ 266.187918 163.6
[M-H]- 242.191424 167.6
[M+NH4]+ 261.232523 179.8
[M+K]+ 282.161858 159.5
[M+H-H2O]+ 226.195960 152.0
[M+HCOO]- 288.196901 178.3
[M+CH3COO]- 302.212551 171.2
[M+Na-2H]- 264.173366 162.9
[M]+ 243.19815142 152.9
[M]- 243.19924858 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