CID 229855

3-(piperidin-1-yl)phenol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CCN(CC1)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H15NO/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-12/h4-6,9,13H,1-3,7-8H2

InChIKey

YNLRDTBLEOQPQL-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 211
Patents: 177.11537 Da
Monoisotopic Mass: 2.6
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]+	178.12265	138.9
[M+Na]+	200.10459	144.3
[M-H]-	176.10809	142.2
[M+NH4]+	195.14919	156.7
[M+K]+	216.07853	141.2
[M+H-H2O]+	160.11263	131.6
[M+HCOO]-	222.11357	157.4
[M+CH3COO]-	236.12922	177.2
[M+Na-2H]-	198.09004	144.5
[M]+	177.11482	133.1
[M]-	177.11592	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe