CID 351619

6913-14-0

Structural Information

Molecular Formula
C4H7N3S2
SMILES
CCSC1=NSC(=N1)N
InChI
InChI=1S/C4H7N3S2/c1-2-8-4-6-3(5)9-7-4/h2H2,1H3,(H2,5,6,7)
InChIKey
QUZMBXKLLAANDL-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

161.00813 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01541 127.0
[M+Na]+ 183.99735 137.5
[M-H]- 160.00085 128.2
[M+NH4]+ 179.04195 147.6
[M+K]+ 199.97129 134.0
[M+H-H2O]+ 144.00539 120.9
[M+HCOO]- 206.00633 140.7
[M+CH3COO]- 220.02198 175.9
[M+Na-2H]- 181.98280 127.9
[M]+ 161.00758 128.5
[M]- 161.00868 128.5
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