CID 817770

59039-17-7

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C6H14N2O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H2,1-2H3

InChIKey

YDOGEBDDNZDNJY-UHFFFAOYSA-N

Compound name

1-methyl-4-methylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 923
Patents: 178.0776 Da
Monoisotopic Mass: -0.7
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]+	179.08488	138.5
[M+Na]+	201.06682	148.4
[M+NH4]+	196.11142	145.7
[M+K]+	217.04076	142.2
[M-H]-	177.07032	137.8
[M+Na-2H]-	199.05227	141.9
[M]+	178.07705	140.0
[M]-	178.07815	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe