CID 81260

Undecaethylene glycol

Structural Information

Molecular Formula

C₂₂H₄₆O₁₂

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2

InChIKey

PSVXZQVXSXSQRO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1488
Patents: 502.29892 Da
Monoisotopic Mass: -2.6
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]+	503.306196	233.9
[M+Na]+	525.288138	233.2
[M-H]-	501.291644	222.8
[M+NH4]+	520.332743	233.5
[M+K]+	541.262078	227.8
[M+H-H2O]+	485.296180	233.4
[M+HCOO]-	547.297121	244.5
[M+CH3COO]-	561.312771	232.8
[M+Na-2H]-	523.273586	216.8
[M]+	502.29837142	233.6
[M]-	502.29946858	233.6

Literature stripe

literature stripe

Patent stripe

patents stripe