CID 10424294

6-hydroxy-alpha-pyrufuran

Structural Information

Molecular Formula
C15H14O6
SMILES
COC1=C(C(=C(C2=C1C3=C(O2)C(=CC=C3)O)OC)OC)O
InChI
InChI=1S/C15H14O6/c1-18-12-9-7-5-4-6-8(16)11(7)21-13(9)15(20-3)14(19-2)10(12)17/h4-6,16-17H,1-3H3
InChIKey
XUGBHEYCYSYJSM-UHFFFAOYSA-N
Compound name
1,3,4-trimethoxydibenzofuran-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 159.9
[M+Na]+ 313.06826 172.3
[M-H]- 289.07176 165.5
[M+NH4]+ 308.11286 177.9
[M+K]+ 329.04220 170.7
[M+H-H2O]+ 273.07630 154.7
[M+HCOO]- 335.07724 181.4
[M+CH3COO]- 349.09289 199.4
[M+Na-2H]- 311.05371 165.8
[M]+ 290.07849 169.8
[M]- 290.07959 169.8
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.