PubChemLite - Laureth-12 (C36H74O13)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C36H74O13/c1-2-3-4-5-6-7-8-9-10-11-13-38-15-17-40-19-21-42-23-25-44-27-29-46-31-33-48-35-36-49-34-32-47-30-28-45-26-24-43-22-20-41-18-16-39-14-12-37/h37H,2-36H2,1H3

InChIKey

WMPGRAUYWYBJKX-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)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]+	715.52022	288.8
[M+Na]+	737.50216	286.1
[M-H]-	713.50566	273.4
[M+NH4]+	732.54676	291.2
[M+K]+	753.47610	286.3
[M+H-H2O]+	697.51020	288.1
[M+HCOO]-	759.51114	295.5
[M+CH3COO]-	773.52679	274.0
[M+Na-2H]-	735.48761	265.9
[M]+	714.51239	290.7
[M]-	714.51349	290.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

715.52022

288.8

[M+Na]+

737.50216

286.1

[M-H]-

713.50566

273.4

[M+NH4]+

732.54676

291.2

[M+K]+

753.47610

286.3

[M+H-H2O]+

697.51020

288.1

[M+HCOO]-

759.51114

295.5

[M+CH3COO]-

773.52679

274.0

[M+Na-2H]-

735.48761

265.9

[M]+

714.51239

290.7

[M]-

714.51349

290.7

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

Laureth-12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe