CID 11381736

7-(2,3-dihydroxy-3-methyl-butoxy)-6,8-dimethoxy-chromen-2-one

Structural Information

Molecular Formula
C16H20O7
SMILES
CC(C)(C(COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)O)O
InChI
InChI=1S/C16H20O7/c1-16(2,19)11(17)8-22-14-10(20-3)7-9-5-6-12(18)23-13(9)15(14)21-4/h5-7,11,17,19H,8H2,1-4H3
InChIKey
UZRFRVJHGXPUNK-UHFFFAOYSA-N
Compound name
7-(2,3-dihydroxy-3-methylbutoxy)-6,8-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.1209 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12818 170.7
[M+Na]+ 347.11012 178.8
[M-H]- 323.11362 173.9
[M+NH4]+ 342.15472 183.7
[M+K]+ 363.08406 178.9
[M+H-H2O]+ 307.11816 164.3
[M+HCOO]- 369.11910 187.7
[M+CH3COO]- 383.13475 205.4
[M+Na-2H]- 345.09557 175.9
[M]+ 324.12035 178.8
[M]- 324.12145 178.8
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

No patent data available for this compound.