CID 8098

Triethylene glycol diacetate

Structural Information

Molecular Formula

C₁₀H₁₈O₆

SMILES

CC(=O)OCCOCCOCCOC(=O)C

InChI

InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3

InChIKey

OVOUKWFJRHALDD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 8277
Patents: 234.11034 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]+	235.11762	152.1
[M+Na]+	257.09956	159.4
[M+NH4]+	252.14416	156.6
[M+K]+	273.07350	156.2
[M-H]-	233.10306	148.5
[M+Na-2H]-	255.08501	152.5
[M]+	234.10979	151.6
[M]-	234.11089	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe