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

5
Annotation Hits: 4
References: 58175
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]+	147.101576	131.2
[M+Na]+	169.083518	138.2
[M-H]-	145.087024	131.5
[M+NH4]+	164.128123	152.8
[M+K]+	185.057458	139.0
[M+H-H2O]+	129.091560	126.5
[M+HCOO]-	191.092501	154.7
[M+CH3COO]-	205.108151	175.4
[M+Na-2H]-	167.068966	136.6
[M]+	146.09375142	135.9
[M]-	146.09484858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe