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]+ 163.02843 130.8
[M+Na]+ 185.01037 141.5
[M-H]- 161.01387 129.8
[M+NH4]+ 180.05497 148.8
[M+K]+ 200.98431 138.7
[M+H-H2O]+ 145.01841 124.6
[M+HCOO]- 207.01935 147.0
[M+CH3COO]- 221.03500 171.0
[M+Na-2H]- 182.99582 134.8
[M]+ 162.02060 130.5
[M]- 162.02170 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