CID 137964717

3-(1h-pyrazol-1-yl)propane-1-sulfonamide

Structural Information

Molecular Formula
C6H11N3O2S
SMILES
C1=CN(N=C1)CCCS(=O)(=O)N
InChI
InChI=1S/C6H11N3O2S/c7-12(10,11)6-2-5-9-4-1-3-8-9/h1,3-4H,2,5-6H2,(H2,7,10,11)
InChIKey
ZMTYBIJJEVFERG-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0572 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06448 139.9
[M+Na]+ 212.04642 148.5
[M+NH4]+ 207.09102 146.2
[M+K]+ 228.02036 144.5
[M-H]- 188.04992 138.8
[M+Na-2H]- 210.03187 143.4
[M]+ 189.05665 140.9
[M]- 189.05775 140.9
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

No patent data available for this compound.