CID 22420731

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

Structural Information

Molecular Formula
C4H7N3O2S
SMILES
CN1C(=CC=N1)S(=O)(=O)N
InChI
InChI=1S/C4H7N3O2S/c1-7-4(2-3-6-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
InChIKey
ZBJCDJIOGZUTPM-UHFFFAOYSA-N
Compound name
2-methylpyrazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

161.0259 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.033176 130.1
[M+Na]+ 184.015118 140.8
[M-H]- 160.018624 131.8
[M+NH4]+ 179.059723 150.3
[M+K]+ 199.989058 138.9
[M+H-H2O]+ 144.023160 124.2
[M+HCOO]- 206.024101 148.8
[M+CH3COO]- 220.039751 173.5
[M+Na-2H]- 182.000566 134.3
[M]+ 161.02535142 131.6
[M]- 161.02644858 131.6
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