CID 44543379

2-benzyl-5-hydroxypyridin-4(1h)-one

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)O

InChI

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

InChIKey

JGOOWKFFSLFTFG-UHFFFAOYSA-N

Compound name

2-benzyl-5-hydroxy-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 201.07898 Da
Monoisotopic Mass: 1.9
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]+	202.08626	142.9
[M+Na]+	224.06820	157.8
[M+NH4]+	219.11280	150.9
[M+K]+	240.04214	150.7
[M-H]-	200.07170	146.1
[M+Na-2H]-	222.05365	152.0
[M]+	201.07843	145.9
[M]-	201.07953	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe