CID 566338

4464-77-1

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

C1=COC(=C1)C(C(C2=CC=CO2)O)O

InChI

InChI=1S/C10H10O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-12H

InChIKey

PAGAJWBCCKFHIT-UHFFFAOYSA-N

Compound name

1,2-bis(furan-2-yl)ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 194.0579 Da
Monoisotopic Mass: 0.1
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]+	195.06518	138.6
[M+Na]+	217.04712	149.2
[M+NH4]+	212.09172	145.8
[M+K]+	233.02106	149.9
[M-H]-	193.05062	142.3
[M+Na-2H]-	215.03257	143.7
[M]+	194.05735	140.9
[M]-	194.05845	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe