CID 14213581

5-hydroxy-8-methoxy-2,4-dimethyl-2,3-dihydrobenzo[g]benzofuran-6,9-dione

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O1)OC)O)C
InChI
InChI=1S/C15H14O5/c1-6-4-8-7(2)13(17)11-9(16)5-10(19-3)14(18)12(11)15(8)20-6/h5-6,17H,4H2,1-3H3
InChIKey
NBKWZULFGPSFFA-UHFFFAOYSA-N
Compound name
5-hydroxy-8-methoxy-2,4-dimethyl-2,3-dihydrobenzo[g][1]benzofuran-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 156.8
[M+Na]+ 297.07336 168.4
[M-H]- 273.07686 163.0
[M+NH4]+ 292.11796 176.1
[M+K]+ 313.04730 166.0
[M+H-H2O]+ 257.08140 152.3
[M+HCOO]- 319.08234 175.6
[M+CH3COO]- 333.09799 200.4
[M+Na-2H]- 295.05881 159.7
[M]+ 274.08359 161.8
[M]- 274.08469 161.8
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.