PubChemLite - 66161-57-7 (C36H74O16S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C36H74O16S/c1-2-3-4-5-6-7-8-9-10-11-12-40-13-14-41-15-16-42-17-18-43-19-20-44-21-22-45-23-24-46-25-26-47-27-28-48-29-30-49-31-32-50-33-34-51-35-36-52-53(37,38)39/h2-36H2,1H3,(H,37,38,39)

InChIKey

KORVYZBRZQALBX-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate

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]+	795.47708	296.8
[M+Na]+	817.45902	295.8
[M+NH4]+	812.50362	301.8
[M+K]+	833.43296	296.6
[M-H]-	793.46252	283.6
[M+Na-2H]-	815.44447	294.0
[M]+	794.46925	294.6
[M]-	794.47035	294.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

795.47708

296.8

[M+Na]+

817.45902

295.8

[M+NH4]+

812.50362

301.8

[M+K]+

833.43296

296.6

[M-H]-

793.46252

283.6

[M+Na-2H]-

815.44447

294.0

[M]+

794.46925

294.6

[M]-

794.47035

294.6

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

66161-57-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe