CID 66213

Tetraethyl orthocarbonate

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CCOC(OCC)(OCC)OCC

InChI

InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3

InChIKey

CWLNAJYDRSIKJS-UHFFFAOYSA-N

Compound name

triethoxymethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1489
Patents: 192.13615 Da
Monoisotopic Mass: 1.3
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]+	193.14343	144.4
[M+Na]+	215.12537	150.7
[M-H]-	191.12887	144.4
[M+NH4]+	210.16997	164.2
[M+K]+	231.09931	152.1
[M+H-H2O]+	175.13341	139.5
[M+HCOO]-	237.13435	166.6
[M+CH3COO]-	251.15000	184.6
[M+Na-2H]-	213.11082	150.7
[M]+	192.13560	152.3
[M]-	192.13670	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe