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

6
Annotation Hits: 213
References: 93297
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	112.5
[M+Na]+	113.020908	121.2
[M-H]-	89.024414	113.5
[M+NH4]+	108.065513	136.4
[M+K]+	128.994848	123.1
[M+H-H2O]+	73.028950	108.6
[M+HCOO]-	135.029891	137.3
[M+CH3COO]-	149.045541	162.6
[M+Na-2H]-	111.006356	120.1
[M]+	90.03114142	115.6
[M]-	90.03223858	115.6

Literature stripe

literature stripe

Patent stripe

patents stripe