1189112-05-7 (C28H58O15)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2

InChIKey

ILLKMACMBHTSHP-UHFFFAOYSA-N

Compound name

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]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]+	635.384836	268.5
[M+Na]+	657.366778	265.1
[M-H]-	633.370284	256.9
[M+NH4]+	652.411383	270.1
[M+K]+	673.340718	261.8
[M+H-H2O]+	617.374820	267.6
[M+HCOO]-	679.375761	276.3
[M+CH3COO]-	693.391411	254.4
[M+Na-2H]-	655.352226	247.2
[M]+	634.37701142	269.6
[M]-	634.37810858	269.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

635.384836

268.5

[M+Na]+

657.366778

265.1

[M-H]-

633.370284

256.9

[M+NH4]+

652.411383

270.1

[M+K]+

673.340718

261.8

[M+H-H2O]+

617.374820

267.6

[M+HCOO]-

679.375761

276.3

[M+CH3COO]-

693.391411

254.4

[M+Na-2H]-

655.352226

247.2

[M]+

634.37701142

269.6

[M]-

634.37810858

269.6

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

1189112-05-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe