CID 11077635

2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid

Structural Information

Molecular Formula

C₈H₁₈O₈S₂

SMILES

CS(=O)(=O)OCCOCCOCCOS(=O)(=O)C

InChI

InChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3

InChIKey

MPXIHGYFUPBCPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 306.0443 Da
Monoisotopic Mass: -1.2
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]+	307.05158	164.5
[M+Na]+	329.03352	170.3
[M-H]-	305.03702	163.8
[M+NH4]+	324.07812	179.1
[M+K]+	345.00746	168.7
[M+H-H2O]+	289.04156	158.4
[M+HCOO]-	351.04250	175.9
[M+CH3COO]-	365.05815	195.3
[M+Na-2H]-	327.01897	168.2
[M]+	306.04375	176.3
[M]-	306.04485	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe