PubChemLite - Peg21 (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]+	899.54213	318.6
[M+Na]+	921.52407	312.0
[M+NH4]+	916.56867	323.8
[M+K]+	937.49801	318.7
[M-H]-	897.52757	305.1
[M+Na-2H]-	919.50952	313.4
[M]+	898.53430	315.7
[M]-	898.53540	315.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

899.54213

318.6

[M+Na]+

921.52407

312.0

[M+NH4]+

916.56867

323.8

[M+K]+

937.49801

318.7

[M-H]-

897.52757

305.1

[M+Na-2H]-

919.50952

313.4

[M]+

898.53430

315.7

[M]-

898.53540

315.7

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

Peg21

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe