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

1
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

patents stripe