CID 54684893

4-hydroxy-6-(pyridin-3-yl)-2h-pyran-2-one

Structural Information

Molecular Formula

C₁₀H₇NO₃

SMILES

C1=CC(=CN=C1)C2=CC(=CC(=O)O2)O

InChI

InChI=1S/C10H7NO3/c12-8-4-9(14-10(13)5-8)7-2-1-3-11-6-7/h1-6,12H

InChIKey

HWOWEGAQDKKHDR-UHFFFAOYSA-N

Compound name

4-hydroxy-6-pyridin-3-ylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1118
Patents: 189.04259 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]+	190.049866	135.3
[M+Na]+	212.031808	145.4
[M-H]-	188.035314	141.0
[M+NH4]+	207.076413	151.7
[M+K]+	228.005748	143.4
[M+H-H2O]+	172.039850	128.0
[M+HCOO]-	234.040791	158.2
[M+CH3COO]-	248.056441	177.8
[M+Na-2H]-	210.017256	144.5
[M]+	189.04204142	136.6
[M]-	189.04313858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe