PubChemLite - Nonylphenol-13-ethoxylate (C41H76O14)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C41H76O14/c1-2-3-4-5-6-7-8-9-40-10-12-41(13-11-40)55-39-38-54-37-36-53-35-34-52-33-32-51-31-30-50-29-28-49-27-26-48-25-24-47-23-22-46-21-20-45-19-18-44-17-16-43-15-14-42/h10-13,42H,2-9,14-39H2,1H3

InChIKey

FBALLGBRGQTMMZ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	793.53078	288.2
[M+Na]+	815.51272	286.7
[M-H]-	791.51622	273.5
[M+NH4]+	810.55732	292.0
[M+K]+	831.48666	285.2
[M+H-H2O]+	775.52076	288.9
[M+HCOO]-	837.52170	298.9
[M+CH3COO]-	851.53735	286.3
[M+Na-2H]-	813.49817	265.7
[M]+	792.52295	291.0
[M]-	792.52405	291.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.53078

288.2

[M+Na]+

815.51272

286.7

[M-H]-

791.51622

273.5

[M+NH4]+

810.55732

292.0

[M+K]+

831.48666

285.2

[M+H-H2O]+

775.52076

288.9

[M+HCOO]-

837.52170

298.9

[M+CH3COO]-

851.53735

286.3

[M+Na-2H]-

813.49817

265.7

[M]+

792.52295

291.0

[M]-

792.52405

291.0

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

Nonylphenol-13-ethoxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe