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

159
Patents

179.07285 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08013 136.9
[M+Na]+ 202.06207 143.9
[M-H]- 178.06557 137.1
[M+NH4]+ 197.10667 154.2
[M+K]+ 218.03601 142.0
[M+H-H2O]+ 162.07011 130.5
[M+HCOO]- 224.07105 150.1
[M+CH3COO]- 238.08670 177.7
[M+Na-2H]- 200.04752 140.2
[M]+ 179.07230 133.8
[M]- 179.07340 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