CID 60911472

5-methyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula

C₄H₇N₃O₂S

SMILES

CC1=C(C=NN1)S(=O)(=O)N

InChI

InChI=1S/C4H7N3O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)(H2,5,8,9)

InChIKey

MIMXTAARSXTZJH-UHFFFAOYSA-N

Compound name

5-methyl-1H-pyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 161.0259 Da
Monoisotopic Mass: -0.8
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]+	162.03318	131.7
[M+Na]+	184.01512	140.5
[M+NH4]+	179.05972	138.0
[M+K]+	199.98906	137.5
[M-H]-	160.01862	130.2
[M+Na-2H]-	182.00057	134.9
[M]+	161.02535	132.6
[M]-	161.02645	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe