CID 95835

Ethyl 2,2-diethoxypropionate

Structural Information

Molecular Formula

C₉H₁₈O₄

SMILES

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

InChI

InChI=1S/C9H18O4/c1-5-11-8(10)9(4,12-6-2)13-7-3/h5-7H2,1-4H3

InChIKey

BVAMIFTXHAJQHP-UHFFFAOYSA-N

Compound name

ethyl 2,2-diethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 190.12051 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]+	191.12779	142.5
[M+Na]+	213.10973	151.0
[M+NH4]+	208.15433	148.5
[M+K]+	229.08367	147.5
[M-H]-	189.11323	139.8
[M+Na-2H]-	211.09518	144.5
[M]+	190.11996	142.7
[M]-	190.12106	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe