CID 390803

5,7-dimethoxy-4-methyl-2-oxo-2h-chromen-6-yl acetate

Structural Information

Molecular Formula
C14H14O6
SMILES
CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC(=O)C)OC
InChI
InChI=1S/C14H14O6/c1-7-5-11(16)20-9-6-10(17-3)13(19-8(2)15)14(18-4)12(7)9/h5-6H,1-4H3
InChIKey
GHCXYHOPWWGQAI-UHFFFAOYSA-N
Compound name
(5,7-dimethoxy-4-methyl-2-oxochromen-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.07904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.086316 155.7
[M+Na]+ 301.068258 166.8
[M-H]- 277.071764 162.3
[M+NH4]+ 296.112863 172.4
[M+K]+ 317.042198 167.2
[M+H-H2O]+ 261.076300 149.2
[M+HCOO]- 323.077241 178.1
[M+CH3COO]- 337.092891 201.3
[M+Na-2H]- 299.053706 161.1
[M]+ 278.07849142 165.5
[M]- 278.07958858 165.5
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

No patent data available for this compound.