CID 522820

3-amino-1-methyl-5-methylthio-1,2,4-triazole

Structural Information

Molecular Formula
C4H8N4S
SMILES
CN1C(=NC(=N1)N)SC
InChI
InChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)
InChIKey
GHBGCSIFUKEXTC-UHFFFAOYSA-N
Compound name
1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

144.04697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05425 128.3
[M+Na]+ 167.03619 139.1
[M+NH4]+ 162.08079 136.0
[M+K]+ 183.01013 134.1
[M-H]- 143.03969 128.7
[M+Na-2H]- 165.02164 132.6
[M]+ 144.04642 130.1
[M]- 144.04752 130.1
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