CID 2801564

165948-37-8

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

C1=CC=C(C=C1)COC2=CNC(=CC2=O)CO

InChI

InChI=1S/C13H13NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)

InChIKey

IWJLZADTSIIYBX-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-5-phenylmethoxy-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 232
Patents: 231.08954 Da
Monoisotopic Mass: 0.9
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]+	232.09682	150.7
[M+Na]+	254.07876	164.9
[M+NH4]+	249.12336	158.0
[M+K]+	270.05270	158.1
[M-H]-	230.08226	153.3
[M+Na-2H]-	252.06421	159.1
[M]+	231.08899	153.4
[M]-	231.09009	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe