CID 69955

Ethyl ethoxyacetate

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CCOCC(=O)OCC

InChI

InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3

InChIKey

CKSRFHWWBKRUKA-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 20853
Patents: 132.07864 Da
Monoisotopic Mass: 0.7
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]+	133.08592	126.7
[M+Na]+	155.06786	136.7
[M+NH4]+	150.11246	134.1
[M+K]+	171.04180	132.0
[M-H]-	131.07136	125.4
[M+Na-2H]-	153.05331	130.1
[M]+	132.07809	127.5
[M]-	132.07919	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe