CID 3252046

5-methoxy-2-(methoxymethyl)pyran-4-one

Structural Information

Molecular Formula
C8H10O4
SMILES
COCC1=CC(=O)C(=CO1)OC
InChI
InChI=1S/C8H10O4/c1-10-4-6-3-7(9)8(11-2)5-12-6/h3,5H,4H2,1-2H3
InChIKey
XOZREIXAQFKCKP-UHFFFAOYSA-N
Compound name
5-methoxy-2-(methoxymethyl)pyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

170.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 130.6
[M+Na]+ 193.04712 144.1
[M+NH4]+ 188.09172 138.4
[M+K]+ 209.02106 139.0
[M-H]- 169.05062 133.3
[M+Na-2H]- 191.03257 136.9
[M]+ 170.05735 133.3
[M]- 170.05845 133.3
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