CID 14368936

3-(4-chlorophenyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1CC(CNC1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C11H14ClNO/c12-10-4-2-9(3-5-10)11(14)6-1-7-13-8-11/h2-5,13-14H,1,6-8H2

InChIKey

XYQUPAHDQDEJAO-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 Da
Monoisotopic Mass: 1.6
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]+	212.083666	145.4
[M+Na]+	234.065608	152.1
[M-H]-	210.069114	147.5
[M+NH4]+	229.110213	164.0
[M+K]+	250.039548	146.6
[M+H-H2O]+	194.073650	139.6
[M+HCOO]-	256.074591	157.9
[M+CH3COO]-	270.090241	156.5
[M+Na-2H]-	232.051056	151.0
[M]+	211.07584142	140.1
[M]-	211.07693858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.