CID 11217901

851518-71-3

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1=CN(C(=O)C=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H11NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2-8,14H,1H3

InChIKey

NETTXQJYJRFTFS-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)-5-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 221
Patents: 201.07898 Da
Monoisotopic Mass: 1.5
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]+	202.086256	140.8
[M+Na]+	224.068198	150.9
[M-H]-	200.071704	145.8
[M+NH4]+	219.112803	158.3
[M+K]+	240.042138	147.0
[M+H-H2O]+	184.076240	133.6
[M+HCOO]-	246.077181	163.7
[M+CH3COO]-	260.092831	182.8
[M+Na-2H]-	222.053646	147.4
[M]+	201.07843142	141.2
[M]-	201.07952858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe