CID 709161

55276-43-2

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

CS(=O)(=O)N1CCNCC1

InChI

InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3

InChIKey

ZZAKLGGGMWORRT-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4687
Patents: 164.06195 Da
Monoisotopic Mass: -1.1
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]+	165.06923	134.2
[M+Na]+	187.05117	143.3
[M+NH4]+	182.09577	141.2
[M+K]+	203.02511	137.5
[M-H]-	163.05467	132.9
[M+Na-2H]-	185.03662	137.4
[M]+	164.06140	135.2
[M]-	164.06250	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe