CID 85888829

2-o,3-dimethylflaviolin

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)O)O)OC

InChI

InChI=1S/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3

InChIKey

MMVQTVRCJUHCSV-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-methoxy-3-methylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.05283 Da
Monoisotopic Mass: 1.8
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]+	235.060106	144.5
[M+Na]+	257.042048	155.8
[M-H]-	233.045554	147.9
[M+NH4]+	252.086653	163.1
[M+K]+	273.015988	152.9
[M+H-H2O]+	217.050090	139.5
[M+HCOO]-	279.051031	164.8
[M+CH3COO]-	293.066681	189.5
[M+Na-2H]-	255.027496	148.7
[M]+	234.05228142	147.5
[M]-	234.05337858	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.