CID 2723946

1750-12-5

Structural Information

Molecular Formula
C2H6N6S
SMILES
C1(=S)NN=C(N1N)NN
InChI
InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)
InChIKey
RDIMQHBOTMWMJA-UHFFFAOYSA-N
Compound name
4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

1686
Patents

146.03746 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04474 124.4
[M+Na]+ 169.02668 134.4
[M-H]- 145.03018 123.2
[M+NH4]+ 164.07128 142.5
[M+K]+ 185.00062 130.4
[M+H-H2O]+ 129.03472 117.3
[M+HCOO]- 191.03566 143.2
[M+CH3COO]- 205.05131 175.2
[M+Na-2H]- 167.01213 127.8
[M]+ 146.03691 120.2
[M]- 146.03801 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe