CID 3022858

3-ethyltetrahydro-2,5-dimethoxyfuran

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCC1CC(OC1OC)OC

InChI

InChI=1S/C8H16O3/c1-4-6-5-7(9-2)11-8(6)10-3/h6-8H,4-5H2,1-3H3

InChIKey

MHQJXBOSOJIRBZ-UHFFFAOYSA-N

Compound name

3-ethyl-2,5-dimethoxyoxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.10994 Da
Monoisotopic Mass: 1.4
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	140.9
[M-H]-	159.102664	137.6
[M+NH4]+	178.143763	155.2
[M+K]+	199.073098	142.3
[M+H-H2O]+	143.107200	128.7
[M+HCOO]-	205.108141	155.8
[M+CH3COO]-	219.123791	177.4
[M+Na-2H]-	181.084606	137.7
[M]+	160.10939142	136.5
[M]-	160.11048858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe