CID 11988811

887406-49-7

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C(C=C1)N2C=C(C=CC2=O)CO

InChI

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

InChIKey

YLTGBKWRQSGNOI-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-1-phenylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 38
Patents: 201.07898 Da
Monoisotopic Mass: 0.6
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]+	202.08626	141.0
[M+Na]+	224.06820	150.2
[M-H]-	200.07170	145.7
[M+NH4]+	219.11280	158.3
[M+K]+	240.04214	146.2
[M+H-H2O]+	184.07624	133.6
[M+HCOO]-	246.07718	163.9
[M+CH3COO]-	260.09283	181.6
[M+Na-2H]-	222.05365	148.4
[M]+	201.07843	141.0
[M]-	201.07953	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe