CID 85888829

2-o,3-dimethylflaviolin-7-olate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06011 144.5
[M+Na]+ 257.04205 155.8
[M-H]- 233.04555 147.9
[M+NH4]+ 252.08665 163.1
[M+K]+ 273.01599 152.9
[M+H-H2O]+ 217.05009 139.5
[M+HCOO]- 279.05103 164.8
[M+CH3COO]- 293.06668 189.5
[M+Na-2H]- 255.02750 148.7
[M]+ 234.05228 147.5
[M]- 234.05338 147.5
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.