28821-35-4 (C30H62O16)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C30H62O16/c31-1-3-33-5-7-35-9-11-37-13-15-39-17-19-41-21-23-43-25-27-45-29-30-46-28-26-44-24-22-42-20-18-40-16-14-38-12-10-36-8-6-34-4-2-32/h31-32H,1-30H2

InChIKey

OWTQQPNDSWCHOV-UHFFFAOYSA-N

Compound name

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]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]+	679.411076	280.4
[M+Na]+	701.393018	276.0
[M-H]-	677.396524	268.6
[M+NH4]+	696.437623	282.6
[M+K]+	717.366958	273.4
[M+H-H2O]+	661.401060	279.2
[M+HCOO]-	723.402001	287.2
[M+CH3COO]-	737.417651	261.3
[M+Na-2H]-	699.378466	257.6
[M]+	678.40325142	282.1
[M]-	678.40434858	282.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.411076

280.4

[M+Na]+

701.393018

276.0

[M-H]-

677.396524

268.6

[M+NH4]+

696.437623

282.6

[M+K]+

717.366958

273.4

[M+H-H2O]+

661.401060

279.2

[M+HCOO]-

723.402001

287.2

[M+CH3COO]-

737.417651

261.3

[M+Na-2H]-

699.378466

257.6

[M]+

678.40325142

282.1

[M]-

678.40434858

282.1

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

28821-35-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe