CID 107282

4437-85-8

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CCC1COC(=O)O1

InChI

InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3

InChIKey

ZZXUZKXVROWEIF-UHFFFAOYSA-N

Compound name

4-ethyl-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 59581
Patents: 116.04734 Da
Monoisotopic Mass: 0.1
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]+	117.054616	118.7
[M+Na]+	139.036558	126.9
[M-H]-	115.040064	123.7
[M+NH4]+	134.081163	140.6
[M+K]+	155.010498	129.3
[M+H-H2O]+	99.044600	114.7
[M+HCOO]-	161.045541	141.4
[M+CH3COO]-	175.061191	166.4
[M+Na-2H]-	137.022006	126.3
[M]+	116.04679142	120.2
[M]-	116.04788858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe