CID 45080577

29982-54-5

Structural Information

Molecular Formula
C3H6N4O2S
SMILES
CC1=NC(=NN1)S(=O)(=O)N
InChI
InChI=1S/C3H6N4O2S/c1-2-5-3(7-6-2)10(4,8)9/h1H3,(H2,4,8,9)(H,5,6,7)
InChIKey
VWPHTCYAPDVEFD-UHFFFAOYSA-N
Compound name
5-methyl-1H-1,2,4-triazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.02115 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.028426 130.8
[M+Na]+ 185.010368 141.5
[M-H]- 161.013874 129.8
[M+NH4]+ 180.054973 148.8
[M+K]+ 200.984308 138.7
[M+H-H2O]+ 145.018410 124.6
[M+HCOO]- 207.019351 147.0
[M+CH3COO]- 221.035001 171.0
[M+Na-2H]- 182.995816 134.8
[M]+ 162.02060142 130.5
[M]- 162.02169858 130.5
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