PubChemLite - C12-alkyl-10-ethoxy-sulfate (C32H66O14S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C32H66O14S/c1-2-3-4-5-6-7-8-9-10-11-12-36-13-14-37-15-16-38-17-18-39-19-20-40-21-22-41-23-24-42-25-26-43-27-28-44-29-30-45-31-32-46-47(33,34)35/h2-32H2,1H3,(H,33,34,35)

InChIKey

ISWNVBHHPQYWKV-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)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]+	707.42464	281.8
[M+Na]+	729.40658	278.0
[M-H]-	705.41008	268.9
[M+NH4]+	724.45118	285.9
[M+K]+	745.38052	278.4
[M+H-H2O]+	689.41462	279.3
[M+HCOO]-	751.41556	290.5
[M+CH3COO]-	765.43121	267.9
[M+Na-2H]-	727.39203	259.6
[M]+	706.41681	286.6
[M]-	706.41791	286.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

707.42464

281.8

[M+Na]+

729.40658

278.0

[M-H]-

705.41008

268.9

[M+NH4]+

724.45118

285.9

[M+K]+

745.38052

278.4

[M+H-H2O]+

689.41462

279.3

[M+HCOO]-

751.41556

290.5

[M+CH3COO]-

765.43121

267.9

[M+Na-2H]-

727.39203

259.6

[M]+

706.41681

286.6

[M]-

706.41791

286.6

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

C12-alkyl-10-ethoxy-sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe