CID 12021

Dimethyl carbonate

Structural Information

Molecular Formula

C₃H₆O₃

SMILES

COC(=O)OC

InChI

InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

Compound name

dimethyl carbonate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 209
References: 81646
Patents: 90.03169 Da
Monoisotopic Mass: 0.5
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]+	91.038966	113.6
[M+Na]+	113.02091	124.2
[M+NH4]+	108.06551	121.5
[M+K]+	128.99485	120.2
[M-H]-	89.024414	112.4
[M+Na-2H]-	111.00636	117.7
[M]+	90.031141	114.5
[M]-	90.032239	114.5

Literature stripe

literature stripe

Patent stripe

patents stripe