CID 210705

21532-04-7

Structural Information

Molecular Formula
C4H8N4S2
SMILES
CSC1=NN=C(N1N)SC
InChI
InChI=1S/C4H8N4S2/c1-9-3-6-7-4(10-2)8(3)5/h5H2,1-2H3
InChIKey
GSABSZTWRUBPBN-UHFFFAOYSA-N
Compound name
3,5-bis(methylsulfanyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

176.01904 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02632 130.7
[M+Na]+ 199.00826 142.2
[M-H]- 175.01176 131.0
[M+NH4]+ 194.05286 149.8
[M+K]+ 214.98220 138.5
[M+H-H2O]+ 159.01630 124.4
[M+HCOO]- 221.01724 143.2
[M+CH3COO]- 235.03289 179.8
[M+Na-2H]- 196.99371 130.8
[M]+ 176.01849 133.1
[M]- 176.01959 133.1
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

No patent data available for this compound.