PubChemLite - 10289-94-8 (C46H92O16)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C46H92O16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-46(48)62-45-44-61-43-42-60-41-40-59-39-38-58-37-36-57-35-34-56-33-32-55-31-30-54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-47/h47H,2-45H2,1H3

InChIKey

PDASDZQPCWGLAC-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate

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]+	901.64583	334.2
[M+Na]+	923.62777	329.4
[M-H]-	899.63127	319.2
[M+NH4]+	918.67237	340.6
[M+K]+	939.60171	333.2
[M+H-H2O]+	883.63581	333.3
[M+HCOO]-	945.63675	334.9
[M+CH3COO]-	959.65240	302.2
[M+Na-2H]-	921.61322	306.9
[M]+	900.63800	339.6
[M]-	900.63910	339.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

901.64583

334.2

[M+Na]+

923.62777

329.4

[M-H]-

899.63127

319.2

[M+NH4]+

918.67237

340.6

[M+K]+

939.60171

333.2

[M+H-H2O]+

883.63581

333.3

[M+HCOO]-

945.63675

334.9

[M+CH3COO]-

959.65240

302.2

[M+Na-2H]-

921.61322

306.9

[M]+

900.63800

339.6

[M]-

900.63910

339.6

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

10289-94-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe