CID 10403706

7-hydroxy-6-methoxy-alpha-pyrufuran

Structural Information

Molecular Formula

C₁₆H₁₆O₇

SMILES

COC1=C(C=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC)O

InChI

InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3

InChIKey

QPJPNKHHNVCLCF-UHFFFAOYSA-N

Compound name

1,3,4,6-tetramethoxydibenzofuran-2,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.0896 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	321.096876	167.3
[M+Na]+	343.078818	179.6
[M-H]-	319.082324	173.0
[M+NH4]+	338.123423	184.1
[M+K]+	359.052758	178.8
[M+H-H2O]+	303.086860	161.8
[M+HCOO]-	365.087801	188.4
[M+CH3COO]-	379.103451	206.1
[M+Na-2H]-	341.064266	172.1
[M]+	320.08905142	179.3
[M]-	320.09014858	179.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.