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

152
Patents

179.07285 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe