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

1
Annotation Hits: 0
References: 505
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]+	161.11722	134.1
[M+Na]+	183.09916	140.6
[M-H]-	159.10266	137.9
[M+NH4]+	178.14376	155.5
[M+K]+	199.07310	142.0
[M+H-H2O]+	143.10720	129.1
[M+HCOO]-	205.10814	156.5
[M+CH3COO]-	219.12379	176.3
[M+Na-2H]-	181.08461	139.0
[M]+	160.10939	136.8
[M]-	160.11049	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe