CID 13011785

6-methoxy-3,6-dihydro-2h-pyran-3-one

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

COC1C=CC(=O)CO1

InChI

InChI=1S/C6H8O3/c1-8-6-3-2-5(7)4-9-6/h2-3,6H,4H2,1H3

InChIKey

AFMDMDCKEUYPDG-UHFFFAOYSA-N

Compound name

2-methoxy-2H-pyran-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 128.04735 Da
Monoisotopic Mass: 0.0
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]+	129.05463	120.7
[M+Na]+	151.03657	128.6
[M-H]-	127.04007	125.2
[M+NH4]+	146.08117	141.6
[M+K]+	167.01051	129.8
[M+H-H2O]+	111.04461	115.7
[M+HCOO]-	173.04555	143.4
[M+CH3COO]-	187.06120	169.2
[M+Na-2H]-	149.02202	129.1
[M]+	128.04680	121.4
[M]-	128.04790	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe