CID 61350074

2089277-84-7

Structural Information

Molecular Formula

C₆H₁₆N₂O₂S

SMILES

CN(CCN)CCS(=O)(=O)C

InChI

InChI=1S/C6H16N2O2S/c1-8(4-3-7)5-6-11(2,9)10/h3-7H2,1-2H3

InChIKey

PGIYUQVVTLYZOY-UHFFFAOYSA-N

Compound name

N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.09325 Da
Monoisotopic Mass: -1.3
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]+	181.10053	140.3
[M+Na]+	203.08247	147.1
[M+NH4]+	198.12707	146.9
[M+K]+	219.05641	141.8
[M-H]-	179.08597	139.4
[M+Na-2H]-	201.06792	142.2
[M]+	180.09270	141.0
[M]-	180.09380	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.