CID 14326005

4-methylpiperazine-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₃N₃O₂S

SMILES

CN1CCN(CC1)S(=O)(=O)N

InChI

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

InChIKey

NMAOAFBQWWLHQG-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 179.07285 Da
Monoisotopic Mass: -1.3
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