CID 19218

3610-27-3

Structural Information

Molecular Formula

C₉H₁₈O₅

SMILES

CC(=O)OCCOCCOCCOC

InChI

InChI=1S/C9H18O5/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3

InChIKey

SDHQGBWMLCBNSM-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4973
Patents: 206.11542 Da
Monoisotopic Mass: -0.3
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]+	207.12270	145.7
[M+Na]+	229.10464	154.0
[M+NH4]+	224.14924	151.3
[M+K]+	245.07858	149.7
[M-H]-	205.10814	143.1
[M+Na-2H]-	227.09009	147.3
[M]+	206.11487	145.7
[M]-	206.11597	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe