CID 86184216

5-hydroxy-8-methoxy-2,4-dimethylnaphtho[1,2-b]furan-6,9-dione

Structural Information

Molecular Formula
C15H12O5
SMILES
CC1=CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O1)OC)O)C
InChI
InChI=1S/C15H12O5/c1-6-4-8-7(2)13(17)11-9(16)5-10(19-3)14(18)12(11)15(8)20-6/h4-5,17H,1-3H3
InChIKey
VPFPRRFNKURUNF-UHFFFAOYSA-N
Compound name
5-hydroxy-8-methoxy-2,4-dimethylbenzo[g][1]benzofuran-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 155.0
[M+Na]+ 295.05770 168.5
[M-H]- 271.06120 162.0
[M+NH4]+ 290.10230 174.6
[M+K]+ 311.03164 166.0
[M+H-H2O]+ 255.06574 150.2
[M+HCOO]- 317.06668 176.7
[M+CH3COO]- 331.08233 199.7
[M+Na-2H]- 293.04315 159.6
[M]+ 272.06793 162.8
[M]- 272.06903 162.8
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.