CID 234556

2-(hydroxymethyl)-5-methoxy-4h-pyran-4-one

Structural Information

Molecular Formula

C₇H₈O₄

SMILES

COC1=COC(=CC1=O)CO

InChI

InChI=1S/C7H8O4/c1-10-7-4-11-5(3-8)2-6(7)9/h2,4,8H,3H2,1H3

InChIKey

RLWWKLWEBQOOAB-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-5-methoxypyran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 106
Patents: 156.04225 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]+	157.04953	126.8
[M+Na]+	179.03147	140.0
[M+NH4]+	174.07607	134.3
[M+K]+	195.00541	135.4
[M-H]-	155.03497	128.9
[M+Na-2H]-	177.01692	132.7
[M]+	156.04170	129.2
[M]-	156.04280	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe