CID 95835

Ethyl 2,2-diethoxypropanoate

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: 83
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]+	191.127786	142.9
[M+Na]+	213.109728	149.4
[M-H]-	189.113234	143.1
[M+NH4]+	208.154333	162.8
[M+K]+	229.083668	150.6
[M+H-H2O]+	173.117770	138.2
[M+HCOO]-	235.118711	164.4
[M+CH3COO]-	249.134361	183.8
[M+Na-2H]-	211.095176	148.1
[M]+	190.11996142	149.3
[M]-	190.12105858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe