CID 6468

Phencyclidine

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

InChIKey

JTJMJGYZQZDUJJ-UHFFFAOYSA-N

Compound name

1-(1-phenylcyclohexyl)piperidine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 4628
References: 44275
Patents: 243.1987 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.205976	161.5
[M+Na]+	266.187918	162.8
[M-H]-	242.191424	167.3
[M+NH4]+	261.232523	178.0
[M+K]+	282.161858	158.8
[M+H-H2O]+	226.195960	151.6
[M+HCOO]-	288.196901	176.2
[M+CH3COO]-	302.212551	170.5
[M+Na-2H]-	264.173366	164.8
[M]+	243.19815142	150.8
[M]-	243.19924858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe