CID 331314

69286-17-5

Structural Information

Molecular Formula
C15H14O6
SMILES
CC1(CC2=C(CC1O)C(=C3C(=O)C=CC(=O)C3=C2O)O)O
InChI
InChI=1S/C15H14O6/c1-15(21)5-7-6(4-10(15)18)13(19)11-8(16)2-3-9(17)12(11)14(7)20/h2-3,10,18-21H,4-5H2,1H3
InChIKey
PPLKCVVBJTYAFT-UHFFFAOYSA-N
Compound name
6,7,9,10-tetrahydroxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.07904 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 160.6
[M+Na]+ 313.06826 170.6
[M-H]- 289.07176 161.7
[M+NH4]+ 308.11286 178.3
[M+K]+ 329.04220 166.3
[M+H-H2O]+ 273.07630 155.9
[M+HCOO]- 335.07724 173.4
[M+CH3COO]- 349.09289 196.4
[M+Na-2H]- 311.05371 164.4
[M]+ 290.07849 159.4
[M]- 290.07959 159.4
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

patents stripe