CID 11644907

Protoapigenone

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(C=CC1=O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
InChIKey
DLMOVPAUHQQYHA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

163
Patents

286.04773 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 158.8
[M+Na]+ 309.03695 169.8
[M-H]- 285.04045 164.8
[M+NH4]+ 304.08155 174.5
[M+K]+ 325.01089 166.9
[M+H-H2O]+ 269.04499 152.3
[M+HCOO]- 331.04593 177.2
[M+CH3COO]- 345.06158 193.4
[M+Na-2H]- 307.02240 166.0
[M]+ 286.04718 160.6
[M]- 286.04828 160.6
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.