CID 85840294

Refchem:516058

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

CCC1OCC(O1)COCC

InChI

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

InChIKey

UENTWPIJTJEEFR-UHFFFAOYSA-N

Compound name

4-(ethoxymethyl)-2-ethyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 160.10994 Da
Monoisotopic Mass: 1.0
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	134.5
[M+Na]+	183.099158	141.1
[M-H]-	159.102664	138.9
[M+NH4]+	178.143763	154.7
[M+K]+	199.073098	143.4
[M+H-H2O]+	143.107200	129.8
[M+HCOO]-	205.108141	155.9
[M+CH3COO]-	219.123791	176.4
[M+Na-2H]-	181.084606	140.4
[M]+	160.10939142	137.8
[M]-	160.11048858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe