CID 10421433

Ns00116535

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=C2C(=CC3=C1OC4C3O4)C=CC(=O)O2
InChI
InChI=1S/C12H8O5/c1-14-11-8-5(2-3-7(13)15-8)4-6-9(11)16-12-10(6)17-12/h2-4,10,12H,1H3
InChIKey
YSTVXEFXPUPSCK-UHFFFAOYSA-N
Compound name
9-methoxy-5,7,11-trioxatetracyclo[8.4.0.03,8.04,6]tetradeca-1,3(8),9,13-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.044446 144.9
[M+Na]+ 255.026388 159.5
[M-H]- 231.029894 155.2
[M+NH4]+ 250.070993 159.7
[M+K]+ 271.000328 159.2
[M+H-H2O]+ 215.034430 139.9
[M+HCOO]- 277.035371 164.5
[M+CH3COO]- 291.051021 160.1
[M+Na-2H]- 253.011836 155.0
[M]+ 232.03662142 156.3
[M]- 232.03771858 156.3
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.