CID 95500

2,5-diethoxytetrahydrofuran

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCOC1CCC(O1)OCC

InChI

InChI=1S/C8H16O3/c1-3-9-7-5-6-8(11-7)10-4-2/h7-8H,3-6H2,1-2H3

InChIKey

ZLKHNURELCONBB-UHFFFAOYSA-N

Compound name

2,5-diethoxyoxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 551
Patents: 160.10994 Da
Monoisotopic Mass: 1.3
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]+	161.117216	134.1
[M+Na]+	183.099158	140.6
[M-H]-	159.102664	137.9
[M+NH4]+	178.143763	155.5
[M+K]+	199.073098	142.0
[M+H-H2O]+	143.107200	129.1
[M+HCOO]-	205.108141	156.5
[M+CH3COO]-	219.123791	176.3
[M+Na-2H]-	181.084606	139.0
[M]+	160.10939142	136.8
[M]-	160.11048858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe