CID 16228087

89532-07-0

Structural Information

Molecular Formula
C6H11N3O2S
SMILES
CC1=C(C(=NN1C)C)S(=O)(=O)N
InChI
InChI=1S/C6H11N3O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3,(H2,7,10,11)
InChIKey
AAEHWFDPJWBCBB-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

189.0572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06448 138.5
[M+Na]+ 212.04642 150.0
[M-H]- 188.04992 140.5
[M+NH4]+ 207.09102 158.1
[M+K]+ 228.02036 147.5
[M+H-H2O]+ 172.05446 132.8
[M+HCOO]- 234.05540 156.4
[M+CH3COO]- 248.07105 182.0
[M+Na-2H]- 210.03187 140.3
[M]+ 189.05665 141.5
[M]- 189.05775 141.5
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