CID 122480685

1-(propan-2-yl)-1h-pyrazole-3-sulfonamide

Structural Information

Molecular Formula

C₆H₁₁N₃O₂S

SMILES

CC(C)N1C=CC(=N1)S(=O)(=O)N

InChI

InChI=1S/C6H11N3O2S/c1-5(2)9-4-3-6(8-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)

InChIKey

GHNBPPOAWRAEJT-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrazole-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 189.0572 Da
Monoisotopic Mass: -0.2
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]+	190.06448	140.2
[M+Na]+	212.04642	148.8
[M+NH4]+	207.09102	146.4
[M+K]+	228.02036	145.8
[M-H]-	188.04992	138.9
[M+Na-2H]-	210.03187	143.2
[M]+	189.05665	141.1
[M]-	189.05775	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe