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

15
Patents

170.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 129.3
[M+Na]+ 193.047118 139.2
[M-H]- 169.050624 134.5
[M+NH4]+ 188.091723 149.0
[M+K]+ 209.021058 140.2
[M+H-H2O]+ 153.055160 123.8
[M+HCOO]- 215.056101 154.5
[M+CH3COO]- 229.071751 177.9
[M+Na-2H]- 191.032566 137.8
[M]+ 170.05735142 135.4
[M]- 170.05844858 135.4
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