CID 22326681

4-(piperidin-3-yl)phenol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h3-6,10,12-13H,1-2,7-8H2

InChIKey

TXKYZQYKQNVYRS-UHFFFAOYSA-N

Compound name

4-piperidin-3-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 177.11537 Da
Monoisotopic Mass: 1.7
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]+	178.122646	139.5
[M+Na]+	200.104588	144.4
[M-H]-	176.108094	141.3
[M+NH4]+	195.149193	156.5
[M+K]+	216.078528	140.4
[M+H-H2O]+	160.112630	132.4
[M+HCOO]-	222.113571	156.5
[M+CH3COO]-	236.129221	150.5
[M+Na-2H]-	198.090036	144.6
[M]+	177.11482142	131.8
[M]-	177.11591858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe