CID 22491152

1340316-81-5

Structural Information

Molecular Formula

C₇H₁₇NO₅S

SMILES

COCCOCCOCCS(=O)(=O)N

InChI

InChI=1S/C7H17NO5S/c1-11-2-3-12-4-5-13-6-7-14(8,9)10/h2-7H2,1H3,(H2,8,9,10)

InChIKey

HZVIOSOGRMVCOC-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 227.08275 Da
Monoisotopic Mass: -1.5
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]+	228.09003	147.6
[M+Na]+	250.07197	153.7
[M-H]-	226.07547	147.0
[M+NH4]+	245.11657	165.4
[M+K]+	266.04591	152.9
[M+H-H2O]+	210.08001	141.7
[M+HCOO]-	272.08095	165.9
[M+CH3COO]-	286.09660	186.9
[M+Na-2H]-	248.05742	151.1
[M]+	227.08220	154.6
[M]-	227.08330	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe