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: 123
Patents: 286.04773 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.05501	159.3
[M+Na]+	309.03695	174.1
[M+NH4]+	304.08155	167.3
[M+K]+	325.01089	167.2
[M-H]-	285.04045	163.1
[M+Na-2H]-	307.02240	166.7
[M]+	286.04718	162.6
[M]-	286.04828	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe