PubChemLite - C12-alkyl-9-ethoxy-sulfate (C30H62O13S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C30H62O13S/c1-2-3-4-5-6-7-8-9-10-11-12-34-13-14-35-15-16-36-17-18-37-19-20-38-21-22-39-23-24-40-25-26-41-27-28-42-29-30-43-44(31,32)33/h2-30H2,1H3,(H,31,32,33)

InChIKey

RFLFWPNQPFERGY-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)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]+	663.39838	270.4
[M+Na]+	685.38032	267.5
[M-H]-	661.38382	257.6
[M+NH4]+	680.42492	273.8
[M+K]+	701.35426	267.1
[M+H-H2O]+	645.38836	268.1
[M+HCOO]-	707.38930	280.1
[M+CH3COO]-	721.40495	261.0
[M+Na-2H]-	683.36577	249.5
[M]+	662.39055	274.5
[M]-	662.39165	274.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

663.39838

270.4

[M+Na]+

685.38032

267.5

[M-H]-

661.38382

257.6

[M+NH4]+

680.42492

273.8

[M+K]+

701.35426

267.1

[M+H-H2O]+

645.38836

268.1

[M+HCOO]-

707.38930

280.1

[M+CH3COO]-

721.40495

261.0

[M+Na-2H]-

683.36577

249.5

[M]+

662.39055

274.5

[M]-

662.39165

274.5

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

C12-alkyl-9-ethoxy-sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe