CID 14049166

111493-51-7

Structural Information

Molecular Formula
C5H6N4O2S
SMILES
CN1C(=C(C=N1)C#N)S(=O)(=O)N
InChI
InChI=1S/C5H6N4O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,1H3,(H2,7,10,11)
InChIKey
JGZOHDBQDBMFHM-UHFFFAOYSA-N
Compound name
4-cyano-2-methylpyrazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02115 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02843 142.5
[M+Na]+ 209.01037 154.3
[M-H]- 185.01387 144.0
[M+NH4]+ 204.05497 159.6
[M+K]+ 224.98431 152.9
[M+H-H2O]+ 169.01841 129.3
[M+HCOO]- 231.01935 157.0
[M+CH3COO]- 245.03500 191.5
[M+Na-2H]- 206.99582 144.9
[M]+ 186.02060 139.1
[M]- 186.02170 139.1
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.