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]+ 190.064476 138.9
[M+Na]+ 212.046418 147.9
[M-H]- 188.049924 139.9
[M+NH4]+ 207.091023 157.7
[M+K]+ 228.020358 145.5
[M+H-H2O]+ 172.054460 132.3
[M+HCOO]- 234.055401 157.0
[M+CH3COO]- 248.071051 178.4
[M+Na-2H]- 210.031866 142.8
[M]+ 189.05665142 140.8
[M]- 189.05774858 140.8
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

No patent data available for this compound.