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: 42
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]+	180.080126	136.9
[M+Na]+	202.062068	143.9
[M-H]-	178.065574	137.1
[M+NH4]+	197.106673	154.2
[M+K]+	218.036008	142.0
[M+H-H2O]+	162.070110	130.5
[M+HCOO]-	224.071051	150.1
[M+CH3COO]-	238.086701	177.7
[M+Na-2H]-	200.047516	140.2
[M]+	179.07230142	133.8
[M]-	179.07339858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe