CID 441795

6-methoxy-alpha-pyrufuran

Structural Information

Molecular Formula
C16H16O6
SMILES
COC1=CC=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC
InChI
InChI=1S/C16H16O6/c1-18-9-7-5-6-8-10-13(19-2)11(17)15(20-3)16(21-4)14(10)22-12(8)9/h5-7,17H,1-4H3
InChIKey
ZUMWPOBUQWYISM-UHFFFAOYSA-N
Compound name
1,3,4,6-tetramethoxydibenzofuran-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.101976 164.4
[M+Na]+ 327.083918 176.8
[M-H]- 303.087424 171.2
[M+NH4]+ 322.128523 182.5
[M+K]+ 343.057858 175.8
[M+H-H2O]+ 287.091960 158.7
[M+HCOO]- 349.092901 187.0
[M+CH3COO]- 363.108551 204.6
[M+Na-2H]- 325.069366 170.1
[M]+ 304.09415142 176.4
[M]- 304.09524858 176.4
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