CID 358290

2,2-diethoxytetrahydrofuran

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCOC1(CCCO1)OCC

InChI

InChI=1S/C8H16O3/c1-3-9-8(10-4-2)6-5-7-11-8/h3-7H2,1-2H3

InChIKey

HRKTYSDVSRVOIP-UHFFFAOYSA-N

Compound name

2,2-diethoxyoxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 276
Patents: 160.10994 Da
Monoisotopic Mass: 1.1
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]+	161.117216	133.4
[M+Na]+	183.099158	139.9
[M-H]-	159.102664	137.2
[M+NH4]+	178.143763	156.6
[M+K]+	199.073098	141.5
[M+H-H2O]+	143.107200	129.1
[M+HCOO]-	205.108141	155.9
[M+CH3COO]-	219.123791	174.7
[M+Na-2H]-	181.084606	140.3
[M]+	160.10939142	136.0
[M]-	160.11048858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe