CID 97798

6309-62-2

Structural Information

Molecular Formula

C₉H₁₆O₅

SMILES

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

InChI

InChI=1S/C9H16O5/c1-4-12-8(10)6-14-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3

InChIKey

SFEWOHUGHVHUCA-UHFFFAOYSA-N

Compound name

ethyl 2-(2-ethoxy-2-oxoethoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 204.09978 Da
Monoisotopic Mass: 1.1
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]+	205.107056	144.7
[M+Na]+	227.088998	150.6
[M-H]-	203.092504	144.7
[M+NH4]+	222.133603	163.7
[M+K]+	243.062938	152.3
[M+H-H2O]+	187.097040	139.3
[M+HCOO]-	249.097981	166.2
[M+CH3COO]-	263.113631	185.6
[M+Na-2H]-	225.074446	146.6
[M]+	204.09923142	151.0
[M]-	204.10032858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe