CID 81766

7328-17-8

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

CCOCCOCCOC(=O)C=C

InChI

InChI=1S/C9H16O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3H,1,4-8H2,2H3

InChIKey

FTALTLPZDVFJSS-UHFFFAOYSA-N

Compound name

2-(2-ethoxyethoxy)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 26406
Patents: 188.10486 Da
Monoisotopic Mass: 0.8
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]+	189.11214	141.6
[M+Na]+	211.09408	147.9
[M-H]-	187.09758	141.4
[M+NH4]+	206.13868	161.3
[M+K]+	227.06802	148.1
[M+H-H2O]+	171.10212	136.2
[M+HCOO]-	233.10306	164.8
[M+CH3COO]-	247.11871	182.5
[M+Na-2H]-	209.07953	146.0
[M]+	188.10431	147.8
[M]-	188.10541	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe