CID 3801959

870007-73-1

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CS(=O)(=O)CCN1CCNCC1

InChI

InChI=1S/C7H16N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3

InChIKey

CTIYSVWSRPUAAZ-UHFFFAOYSA-N

Compound name

1-(2-methylsulfonylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 192.09325 Da
Monoisotopic Mass: -1.0
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]+	193.100526	142.3
[M+Na]+	215.082468	148.0
[M-H]-	191.085974	140.9
[M+NH4]+	210.127073	158.7
[M+K]+	231.056408	145.3
[M+H-H2O]+	175.090510	135.9
[M+HCOO]-	237.091451	153.1
[M+CH3COO]-	251.107101	175.7
[M+Na-2H]-	213.067916	145.3
[M]+	192.09270142	139.4
[M]-	192.09379858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe