CID 12989

Ethyl 3-ethoxypropionate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCOCCC(=O)OCC

InChI

InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3

InChIKey

BHXIWUJLHYHGSJ-UHFFFAOYSA-N

Compound name

ethyl 3-ethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 64310
Patents: 146.0943 Da
Monoisotopic Mass: 0.6
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]+	147.10158	131.2
[M+Na]+	169.08352	140.9
[M+NH4]+	164.12812	138.3
[M+K]+	185.05746	136.0
[M-H]-	145.08702	129.8
[M+Na-2H]-	167.06897	134.2
[M]+	146.09375	131.8
[M]-	146.09485	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe