PubChemLite - C13-alkyl-10-ethoxy-sulfate (C33H68O14S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O

InChI

InChI=1S/C33H68O14S/c1-2-3-4-5-6-7-8-9-10-11-12-13-37-14-15-38-16-17-39-18-19-40-20-21-41-22-23-42-24-25-43-26-27-44-28-29-45-30-31-46-32-33-47-48(34,35)36/h2-33H2,1H3,(H,34,35,36)

InChIKey

JRJGKDSTAKYQMA-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)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]+	721.44028	285.4
[M+Na]+	743.42222	281.4
[M-H]-	719.42572	272.0
[M+NH4]+	738.46682	289.4
[M+K]+	759.39616	282.1
[M+H-H2O]+	703.43026	282.8
[M+HCOO]-	765.43120	293.7
[M+CH3COO]-	779.44685	270.5
[M+Na-2H]-	741.40767	262.7
[M]+	720.43245	290.2
[M]-	720.43355	290.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

721.44028

285.4

[M+Na]+

743.42222

281.4

[M-H]-

719.42572

272.0

[M+NH4]+

738.46682

289.4

[M+K]+

759.39616

282.1

[M+H-H2O]+

703.43026

282.8

[M+HCOO]-

765.43120

293.7

[M+CH3COO]-

779.44685

270.5

[M+Na-2H]-

741.40767

262.7

[M]+

720.43245

290.2

[M]-

720.43355

290.2

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

C13-alkyl-10-ethoxy-sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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