CID 325385

Methyl 2-ethoxyacetate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCOCC(=O)OC

InChI

InChI=1S/C5H10O3/c1-3-8-4-5(6)7-2/h3-4H2,1-2H3

InChIKey

PPFNAOBWGRMDLL-UHFFFAOYSA-N

Compound name

methyl 2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8492
Patents: 118.062996 Da
Monoisotopic Mass: 0.4
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]+	119.07027	121.8
[M+Na]+	141.05221	129.6
[M-H]-	117.05572	122.4
[M+NH4]+	136.09682	144.5
[M+K]+	157.02615	131.0
[M+H-H2O]+	101.06026	117.5
[M+HCOO]-	163.06120	145.9
[M+CH3COO]-	177.07685	169.4
[M+Na-2H]-	139.03766	128.3
[M]+	118.06245	125.7
[M]-	118.06354	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe