CID 14550547

27425-92-9

Structural Information

Molecular Formula

C₂₁H₄₄O₁₁

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C21H44O11/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-20-21-32-19-18-30-15-14-28-11-10-26-7-6-24-3-2-22/h22H,2-21H2,1H3

InChIKey

YMBLPWKGRIGDBP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 235
Patents: 472.28836 Da
Monoisotopic Mass: -1.9
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]+	473.295636	226.7
[M+Na]+	495.277578	227.7
[M-H]-	471.281084	215.8
[M+NH4]+	490.322183	227.9
[M+K]+	511.251518	222.0
[M+H-H2O]+	455.285620	227.5
[M+HCOO]-	517.286561	239.6
[M+CH3COO]-	531.302211	230.3
[M+Na-2H]-	493.263026	211.4
[M]+	472.28781142	227.6
[M]-	472.28890858	227.6

Literature stripe

literature stripe

Patent stripe

patents stripe