M-peg16-alcohol (C33H68O17)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C33H68O17/c1-35-4-5-37-8-9-39-12-13-41-16-17-43-20-21-45-24-25-47-28-29-49-32-33-50-31-30-48-27-26-46-23-22-44-19-18-42-15-14-40-11-10-38-7-6-36-3-2-34/h34H,2-33H2,1H3

InChIKey

GMNLVYXCNRUMTN-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]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]+	737.452976	296.7
[M+Na]+	759.434918	292.3
[M-H]-	735.438424	284.9
[M+NH4]+	754.479523	301.9
[M+K]+	775.408858	290.8
[M+H-H2O]+	719.442960	296.5
[M+HCOO]-	781.443901	303.8
[M+CH3COO]-	795.459551	272.4
[M+Na-2H]-	757.420366	273.0
[M]+	736.44515142	300.7
[M]-	736.44624858	300.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

737.452976

296.7

[M+Na]+

759.434918

292.3

[M-H]-

735.438424

284.9

[M+NH4]+

754.479523

301.9

[M+K]+

775.408858

290.8

[M+H-H2O]+

719.442960

296.5

[M+HCOO]-

781.443901

303.8

[M+CH3COO]-

795.459551

272.4

[M+Na-2H]-

757.420366

273.0

[M]+

736.44515142

300.7

[M]-

736.44624858

300.7

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

M-peg16-alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe