CID 61351

3-ethoxypropanoic acid

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCOCCC(=O)O

InChI

InChI=1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

JRXXEXVXTFEBIY-UHFFFAOYSA-N

Compound name

3-ethoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6206
Patents: 118.062996 Da
Monoisotopic Mass: -0.1
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]+	119.07027	122.7
[M+Na]+	141.05221	132.2
[M+NH4]+	136.09682	129.8
[M+K]+	157.02615	128.1
[M-H]-	117.05572	120.9
[M+Na-2H]-	139.03766	125.7
[M]+	118.06245	123.2
[M]-	118.06354	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe