CID 3262250

2-(piperidin-1-yl)phenol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C11H15NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h2-3,6-7,13H,1,4-5,8-9H2

InChIKey

OXELIFPFCCGAJX-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 177.11537 Da
Monoisotopic Mass: 2.5
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	138.9
[M+Na]+	200.104588	144.3
[M-H]-	176.108094	142.2
[M+NH4]+	195.149193	156.7
[M+K]+	216.078528	141.2
[M+H-H2O]+	160.112630	131.6
[M+HCOO]-	222.113571	157.4
[M+CH3COO]-	236.129221	177.2
[M+Na-2H]-	198.090036	144.5
[M]+	177.11482142	133.1
[M]-	177.11591858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe