CID 97953

6628-64-4

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

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

InChI

InChI=1S/C8H14O5/c1-4-11-7(9)6(3)13-8(10)12-5-2/h6H,4-5H2,1-3H3

InChIKey

IJVJZIXXMKXYTC-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxycarbonyloxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.08412 Da
Monoisotopic Mass: 1.6
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]+	191.09140	140.1
[M+Na]+	213.07334	146.6
[M-H]-	189.07684	140.4
[M+NH4]+	208.11794	159.8
[M+K]+	229.04728	148.5
[M+H-H2O]+	173.08138	135.0
[M+HCOO]-	235.08232	162.0
[M+CH3COO]-	249.09797	182.0
[M+Na-2H]-	211.05879	142.6
[M]+	190.08357	146.0
[M]-	190.08467	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe