CID 53217574

6-[3-(hydroxymethyl)phenyl]pyridin-2-ol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC(=CC(=C1)C2=CC=CC(=O)N2)CO

InChI

InChI=1S/C12H11NO2/c14-8-9-3-1-4-10(7-9)11-5-2-6-12(15)13-11/h1-7,14H,8H2,(H,13,15)

InChIKey

LVKYJUALKWJARJ-UHFFFAOYSA-N

Compound name

6-[3-(hydroxymethyl)phenyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.07898 Da
Monoisotopic Mass: 1.0
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]+	202.086256	141.6
[M+Na]+	224.068198	150.4
[M-H]-	200.071704	144.9
[M+NH4]+	219.112803	158.1
[M+K]+	240.042138	145.5
[M+H-H2O]+	184.076240	134.5
[M+HCOO]-	246.077181	163.0
[M+CH3COO]-	260.092831	179.1
[M+Na-2H]-	222.053646	148.5
[M]+	201.07843142	139.8
[M]-	201.07952858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.