CID 235379

5-methoxy-2-methyl-4h-pyran-4-one

Structural Information

Molecular Formula
C7H8O3
SMILES
CC1=CC(=O)C(=CO1)OC
InChI
InChI=1S/C7H8O3/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1-2H3
InChIKey
WZGIPUBUWODBCC-UHFFFAOYSA-N
Compound name
5-methoxy-2-methylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

140.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 121.4
[M+Na]+ 163.03657 131.9
[M-H]- 139.04007 126.9
[M+NH4]+ 158.08117 142.5
[M+K]+ 179.01051 132.6
[M+H-H2O]+ 123.04461 116.4
[M+HCOO]- 185.04555 146.8
[M+CH3COO]- 199.06120 172.8
[M+Na-2H]- 161.02202 130.6
[M]+ 140.04680 125.8
[M]- 140.04790 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe