CID 3001883

Nsc684033

Structural Information

Molecular Formula
C3H6N6OS
SMILES
C1(=NNN(C1=S)N)C(=O)NN
InChI
InChI=1S/C3H6N6OS/c4-6-2(10)1-3(11)9(5)8-7-1/h8H,4-5H2,(H,6,10)
InChIKey
AOOGNPNALRRUEW-UHFFFAOYSA-N
Compound name
1-amino-5-sulfanylidene-2H-triazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03238 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03966 132.3
[M+Na]+ 197.02160 141.7
[M-H]- 173.02510 131.1
[M+NH4]+ 192.06620 149.1
[M+K]+ 212.99554 137.9
[M+H-H2O]+ 157.02964 125.0
[M+HCOO]- 219.03058 150.1
[M+CH3COO]- 233.04623 179.8
[M+Na-2H]- 195.00705 134.2
[M]+ 174.03183 128.4
[M]- 174.03293 128.4
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.