CID 133277

3-hydroxyphencyclidine

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

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

InChI

InChI=1S/C17H25NO/c19-16-9-7-8-15(14-16)17(10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,19H,1-6,10-13H2

InChIKey

AMSXTZUCNOKUEN-UHFFFAOYSA-N

Compound name

3-(1-piperidin-1-ylcyclohexyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1
Patents: 259.1936 Da
Monoisotopic Mass: 3.3
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]+	260.20088	165.0
[M+Na]+	282.18282	166.9
[M-H]-	258.18632	170.0
[M+NH4]+	277.22742	180.5
[M+K]+	298.15676	162.6
[M+H-H2O]+	242.19086	155.7
[M+HCOO]-	304.19180	178.4
[M+CH3COO]-	318.20745	173.7
[M+Na-2H]-	280.16827	167.4
[M]+	259.19305	154.5
[M]-	259.19415	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe