PubChemLite - 14529-40-9 (C36H74O11)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C36H74O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-38-19-21-40-23-25-42-27-29-44-31-33-46-35-36-47-34-32-45-30-28-43-26-24-41-22-20-39-18-16-37/h37H,2-36H2,1H3

InChIKey

ZWINLZAYDMUOAE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)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]+	683.53041	279.3
[M+Na]+	705.51235	276.6
[M+NH4]+	700.55695	280.7
[M+K]+	721.48629	278.9
[M-H]-	681.51585	262.1
[M+Na-2H]-	703.49780	275.8
[M]+	682.52258	274.8
[M]-	682.52368	274.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.53041

279.3

[M+Na]+

705.51235

276.6

[M+NH4]+

700.55695

280.7

[M+K]+

721.48629

278.9

[M-H]-

681.51585

262.1

[M+Na-2H]-

703.49780

275.8

[M]+

682.52258

274.8

[M]-

682.52368

274.8

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

14529-40-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe