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: 26
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]+	195.065176	139.0
[M+Na]+	217.047118	146.5
[M-H]-	193.050624	145.1
[M+NH4]+	212.091723	157.5
[M+K]+	233.021058	147.1
[M+H-H2O]+	177.055160	134.2
[M+HCOO]-	239.056101	161.6
[M+CH3COO]-	253.071751	175.1
[M+Na-2H]-	215.032566	143.6
[M]+	194.05735142	141.7
[M]-	194.05844858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe