Ns00095447 (C25H53NO12)

Structural Information

Molecular Formula

SMILES

CN(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C25H53NO12/c1-26(2-6-29-10-14-33-18-22-37-24-20-35-16-12-31-8-4-27)3-7-30-11-15-34-19-23-38-25-21-36-17-13-32-9-5-28/h27-28H,2-25H2,1H3

InChIKey

NDMJSWYXHUHWKX-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]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]+	560.364026	253.6
[M+Na]+	582.345968	254.8
[M-H]-	558.349474	245.4
[M+NH4]+	577.390573	256.0
[M+K]+	598.319908	250.1
[M+H-H2O]+	542.354010	253.4
[M+HCOO]-	604.354951	260.2
[M+CH3COO]-	618.370601	249.3
[M+Na-2H]-	580.331416	235.7
[M]+	559.35620142	252.4
[M]-	559.35729858	252.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.364026

253.6

[M+Na]+

582.345968

254.8

[M-H]-

558.349474

245.4

[M+NH4]+

577.390573

256.0

[M+K]+

598.319908

250.1

[M+H-H2O]+

542.354010

253.4

[M+HCOO]-

604.354951

260.2

[M+CH3COO]-

618.370601

249.3

[M+Na-2H]-

580.331416

235.7

[M]+

559.35620142

252.4

[M]-

559.35729858

252.4

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

Ns00095447

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe