CID 15086343

5,6-dihydro-4-methoxy-2h-pyran-2-one

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

COC1=CC(=O)OCC1

InChI

InChI=1S/C6H8O3/c1-8-5-2-3-9-6(7)4-5/h4H,2-3H2,1H3

InChIKey

MEZHTUKDGVTUCD-UHFFFAOYSA-N

Compound name

4-methoxy-2,3-dihydropyran-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.04735 Da
Monoisotopic Mass: 0.4
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]+	129.054626	120.7
[M+Na]+	151.036568	128.6
[M-H]-	127.040074	125.2
[M+NH4]+	146.081173	141.6
[M+K]+	167.010508	129.8
[M+H-H2O]+	111.044610	115.7
[M+HCOO]-	173.045551	143.4
[M+CH3COO]-	187.061201	169.2
[M+Na-2H]-	149.022016	129.1
[M]+	128.04680142	121.4
[M]-	128.04789858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe