CID 16108579

933030-89-8

Structural Information

Molecular Formula

SMILES

C1=CNC(=CC1=O)CO

InChI

InChI=1S/C6H7NO2/c8-4-5-3-6(9)1-2-7-5/h1-3,8H,4H2,(H,7,9)

InChIKey

KRLRNVJRPOTLJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 125.047676 Da
Monoisotopic Mass: -0.7
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]+	126.05495	121.0
[M+Na]+	148.03689	130.1
[M-H]-	124.04040	121.2
[M+NH4]+	143.08150	140.8
[M+K]+	164.01083	127.4
[M+H-H2O]+	108.04494	115.6
[M+HCOO]-	170.04588	143.0
[M+CH3COO]-	184.06153	163.9
[M+Na-2H]-	146.02234	129.2
[M]+	125.04713	119.2
[M]-	125.04822	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe