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

18
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe