CID 22045901

134761-64-1

Structural Information

Molecular Formula

C₁₇H₃₆O₇S

SMILES

CCCCCCCCOCCOCCOCCOCCOS(=O)(=O)C

InChI

InChI=1S/C17H36O7S/c1-3-4-5-6-7-8-9-20-10-11-21-12-13-22-14-15-23-16-17-24-25(2,18)19/h3-17H2,1-2H3

InChIKey

DWEVEPUSHNLNJC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 384.21817 Da
Monoisotopic Mass: 2.5
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]+	385.225446	192.6
[M+Na]+	407.207388	195.0
[M-H]-	383.210894	190.7
[M+NH4]+	402.251993	203.6
[M+K]+	423.181328	193.5
[M+H-H2O]+	367.215430	185.0
[M+HCOO]-	429.216371	218.9
[M+CH3COO]-	443.232021	216.2
[M+Na-2H]-	405.192836	192.7
[M]+	384.21762142	208.2
[M]-	384.21871858	208.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe