CID 7766

Diethyl carbonate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCOC(=O)OCC

InChI

InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

InChIKey

OIFBSDVPJOWBCH-UHFFFAOYSA-N

Compound name

diethyl carbonate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 53
References: 31900
Patents: 118.062996 Da
Monoisotopic Mass: 1.2
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]+	119.07027	122.5
[M+Na]+	141.05221	132.6
[M+NH4]+	136.09682	130.0
[M+K]+	157.02615	128.2
[M-H]-	117.05572	121.2
[M+Na-2H]-	139.03766	126.1
[M]+	118.06245	123.3
[M]-	118.06354	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe