CID 130170929

1-methyl-1h-1,2,3-triazole-4-sulfonamide

Structural Information

Molecular Formula
C3H6N4O2S
SMILES
CN1C=C(N=N1)S(=O)(=O)N
InChI
InChI=1S/C3H6N4O2S/c1-7-2-3(5-6-7)10(4,8)9/h2H,1H3,(H2,4,8,9)
InChIKey
WHINTPULBAPLQR-UHFFFAOYSA-N
Compound name
1-methyltriazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.02115 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02843 130.2
[M+Na]+ 185.01037 141.4
[M-H]- 161.01387 130.7
[M+NH4]+ 180.05497 149.0
[M+K]+ 200.98431 139.5
[M+H-H2O]+ 145.01841 123.8
[M+HCOO]- 207.01935 147.9
[M+CH3COO]- 221.03500 173.5
[M+Na-2H]- 182.99582 134.7
[M]+ 162.02060 131.8
[M]- 162.02170 131.8
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