CID 79734

3,6,9,12-tetraoxatetradecan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₂O₅

SMILES

CCOCCOCCOCCOCCO

InChI

InChI=1S/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3

InChIKey

GTAKOUPXIUWZIA-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 3990
Patents: 222.14673 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]+	223.15401	151.4
[M+Na]+	245.13595	156.2
[M-H]-	221.13945	149.3
[M+NH4]+	240.18055	169.0
[M+K]+	261.10989	156.5
[M+H-H2O]+	205.14399	145.4
[M+HCOO]-	267.14493	173.5
[M+CH3COO]-	281.16058	186.5
[M+Na-2H]-	243.12140	155.9
[M]+	222.14618	159.6
[M]-	222.14728	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe