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]+ 279.08632 155.7
[M+Na]+ 301.06826 166.8
[M-H]- 277.07176 162.3
[M+NH4]+ 296.11286 172.4
[M+K]+ 317.04220 167.2
[M+H-H2O]+ 261.07630 149.2
[M+HCOO]- 323.07724 178.1
[M+CH3COO]- 337.09289 201.3
[M+Na-2H]- 299.05371 161.1
[M]+ 278.07849 165.5
[M]- 278.07959 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.