CID 20456937

4-methanesulfonylpiperazin-1-amine

Structural Information

Molecular Formula

C₅H₁₃N₃O₂S

SMILES

CS(=O)(=O)N1CCN(CC1)N

InChI

InChI=1S/C5H13N3O2S/c1-11(9,10)8-4-2-7(6)3-5-8/h2-6H2,1H3

InChIKey

RWRDTPMJNKGMLD-UHFFFAOYSA-N

Compound name

4-methylsulfonylpiperazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 179.07285 Da
Monoisotopic Mass: -1.4
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]+	180.08013	137.0
[M+Na]+	202.06207	145.4
[M+NH4]+	197.10667	143.6
[M+K]+	218.03601	140.2
[M-H]-	178.06557	136.3
[M+Na-2H]-	200.04752	139.9
[M]+	179.07230	138.0
[M]-	179.07340	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe