2243942-52-9 (C48H98O25)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C48H98O25/c49-1-3-51-5-7-53-9-11-55-13-15-57-17-19-59-21-23-61-25-27-63-29-31-65-33-35-67-37-39-69-41-43-71-45-47-73-48-46-72-44-42-70-40-38-68-36-34-66-32-30-64-28-26-62-24-22-60-20-18-58-16-14-56-12-10-54-8-6-52-4-2-50/h49-50H,1-48H2

InChIKey

IEXKUCOGQITOPO-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[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]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]+	1075.647076	391.9
[M+Na]+	1097.629018	380.1
[M-H]-	1073.632524	378.8
[M+NH4]+	1092.673623	400.2
[M+K]+	1113.602958	383.4
[M+H-H2O]+	1057.637060	389.2
[M+HCOO]-	1119.638001	389.0
[M+CH3COO]-	1133.653651	313.6
[M+Na-2H]-	1095.614466	357.5
[M]+	1074.63925142	406.0
[M]-	1074.64034858	406.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1075.647076

391.9

[M+Na]+

1097.629018

380.1

[M-H]-

1073.632524

378.8

[M+NH4]+

1092.673623

400.2

[M+K]+

1113.602958

383.4

[M+H-H2O]+

1057.637060

389.2

[M+HCOO]-

1119.638001

389.0

[M+CH3COO]-

1133.653651

313.6

[M+Na-2H]-

1095.614466

357.5

[M]+

1074.63925142

406.0

[M]-

1074.64034858

406.0

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

2243942-52-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe