Peg 20 (C40H82O21)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2

InChIKey

ZHMUMDLGQBRJIW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	899.542126	341.3
[M+Na]+	921.524068	332.6
[M-H]-	897.527574	328.8
[M+NH4]+	916.568673	346.9
[M+K]+	937.498008	333.5
[M+H-H2O]+	881.532110	339.3
[M+HCOO]-	943.533051	342.9
[M+CH3COO]-	957.548701	292.7
[M+Na-2H]-	919.509516	311.9
[M]+	898.53430142	348.7
[M]-	898.53539858	348.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

899.542126

341.3

[M+Na]+

921.524068

332.6

[M-H]-

897.527574

328.8

[M+NH4]+

916.568673

346.9

[M+K]+

937.498008

333.5

[M+H-H2O]+

881.532110

339.3

[M+HCOO]-

943.533051

342.9

[M+CH3COO]-

957.548701

292.7

[M+Na-2H]-

919.509516

311.9

[M]+

898.53430142

348.7

[M]-

898.53539858

348.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Peg 20

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe