M-peg19-alcohol (C39H80O20)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C39H80O20/c1-41-4-5-43-8-9-45-12-13-47-16-17-49-20-21-51-24-25-53-28-29-55-32-33-57-36-37-59-39-38-58-35-34-56-31-30-54-27-26-52-23-22-50-19-18-48-15-14-46-11-10-44-7-6-42-3-2-40/h40H,2-39H2,1H3

InChIKey

VRCXDIVMTHNVKE-UHFFFAOYSA-N

Compound name

2-[2-[2-[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]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]+	869.531576	333.3
[M+Na]+	891.513518	326.3
[M-H]-	867.517024	321.1
[M+NH4]+	886.558123	340.6
[M+K]+	907.487458	326.9
[M+H-H2O]+	851.521560	332.6
[M+HCOO]-	913.522501	337.2
[M+CH3COO]-	927.538151	290.9
[M+Na-2H]-	889.498966	305.6
[M]+	868.52375142	340.7
[M]-	868.52484858	340.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

869.531576

333.3

[M+Na]+

891.513518

326.3

[M-H]-

867.517024

321.1

[M+NH4]+

886.558123

340.6

[M+K]+

907.487458

326.9

[M+H-H2O]+

851.521560

332.6

[M+HCOO]-

913.522501

337.2

[M+CH3COO]-

927.538151

290.9

[M+Na-2H]-

889.498966

305.6

[M]+

868.52375142

340.7

[M]-

868.52484858

340.7

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

M-peg19-alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe