CID 21930814

477775-57-8

Structural Information

Molecular Formula

C₁₆H₃₄O₁₀S

SMILES

COCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C

InChI

InChI=1S/C16H34O10S/c1-19-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-15-16-26-27(2,17)18/h3-16H2,1-2H3

InChIKey

ABSVPRBGVPHWDJ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 418.18726 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

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]+	419.194536	193.4
[M+Na]+	441.176478	209.7
[M-H]-	417.179984	198.5
[M+NH4]+	436.221083	211.4
[M+K]+	457.150418	195.9
[M+H-H2O]+	401.184520	185.2
[M+HCOO]-	463.185461	224.8
[M+CH3COO]-	477.201111	219.2
[M+Na-2H]-	439.161926	195.2
[M]+	418.18671142	212.3
[M]-	418.18780858	212.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe