PubChemLite - C12-alkyl-11-ethoxy-sulfate (C34H70O15S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C34H70O15S/c1-2-3-4-5-6-7-8-9-10-11-12-38-13-14-39-15-16-40-17-18-41-19-20-42-21-22-43-23-24-44-25-26-45-27-28-46-29-30-47-31-32-48-33-34-49-50(35,36)37/h2-34H2,1H3,(H,35,36,37)

InChIKey

LDOQTQSGBCHOLS-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)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]+	751.45082	293.4
[M+Na]+	773.43276	288.7
[M-H]-	749.43626	280.3
[M+NH4]+	768.47736	298.1
[M+K]+	789.40670	289.7
[M+H-H2O]+	733.44080	290.8
[M+HCOO]-	795.44174	301.1
[M+CH3COO]-	809.45739	274.6
[M+Na-2H]-	771.41821	269.8
[M]+	750.44299	298.9
[M]-	750.44409	298.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

751.45082

293.4

[M+Na]+

773.43276

288.7

[M-H]-

749.43626

280.3

[M+NH4]+

768.47736

298.1

[M+K]+

789.40670

289.7

[M+H-H2O]+

733.44080

290.8

[M+HCOO]-

795.44174

301.1

[M+CH3COO]-

809.45739

274.6

[M+Na-2H]-

771.41821

269.8

[M]+

750.44299

298.9

[M]-

750.44409

298.9

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

C12-alkyl-11-ethoxy-sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe