CID 91400161

4,6-dimethoxybenzofuran

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC2=C(C=CO2)C(=C1)OC

InChI

InChI=1S/C10H10O3/c1-11-7-5-9(12-2)8-3-4-13-10(8)6-7/h3-6H,1-2H3

InChIKey

KJQBVSLIHABWKY-UHFFFAOYSA-N

Compound name

4,6-dimethoxy-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 178.06299 Da
Monoisotopic Mass: 2.3
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]+	179.070266	132.0
[M+Na]+	201.052208	143.3
[M-H]-	177.055714	138.4
[M+NH4]+	196.096813	154.4
[M+K]+	217.026148	142.9
[M+H-H2O]+	161.060250	127.1
[M+HCOO]-	223.061191	158.2
[M+CH3COO]-	237.076841	179.8
[M+Na-2H]-	199.037656	141.0
[M]+	178.06244142	139.0
[M]-	178.06353858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe