PubChemLite - Mpeg13-oh (C27H56O14)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C27H56O14/c1-29-4-5-31-8-9-33-12-13-35-16-17-37-20-21-39-24-25-41-27-26-40-23-22-38-19-18-36-15-14-34-11-10-32-7-6-30-3-2-28/h28H,2-27H2,1H3

InChIKey

QDZVJCHPIMYQMG-UHFFFAOYSA-N

Compound name

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]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]+	605.37428	261.1
[M+Na]+	627.35622	259.4
[M-H]-	603.35972	249.7
[M+NH4]+	622.40082	264.3
[M+K]+	643.33016	255.8
[M+H-H2O]+	587.36426	261.4
[M+HCOO]-	649.36520	271.2
[M+CH3COO]-	663.38085	252.1
[M+Na-2H]-	625.34167	241.5
[M]+	604.36645	262.9
[M]-	604.36755	262.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.37428

261.1

[M+Na]+

627.35622

259.4

[M-H]-

603.35972

249.7

[M+NH4]+

622.40082

264.3

[M+K]+

643.33016

255.8

[M+H-H2O]+

587.36426

261.4

[M+HCOO]-

649.36520

271.2

[M+CH3COO]-

663.38085

252.1

[M+Na-2H]-

625.34167

241.5

[M]+

604.36645

262.9

[M]-

604.36755

262.9

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

Mpeg13-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe