CID 5090273

Ethyl 2,2,2-triethoxyacetate

Structural Information

Molecular Formula

C₁₀H₂₀O₅

SMILES

CCOC(=O)C(OCC)(OCC)OCC

InChI

InChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3

InChIKey

JWQIAVCJLYNXLJ-UHFFFAOYSA-N

Compound name

ethyl 2,2,2-triethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 220.13107 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]+	221.13835	149.5
[M+Na]+	243.12029	157.3
[M+NH4]+	238.16489	154.7
[M+K]+	259.09423	154.1
[M-H]-	219.12379	146.2
[M+Na-2H]-	241.10574	150.8
[M]+	220.13052	149.3
[M]-	220.13162	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe