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

43
Patents

144.04697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.054246 126.6
[M+Na]+ 167.036188 137.8
[M-H]- 143.039694 127.1
[M+NH4]+ 162.080793 146.7
[M+K]+ 183.010128 135.7
[M+H-H2O]+ 127.044230 119.9
[M+HCOO]- 189.045171 144.8
[M+CH3COO]- 203.060821 174.8
[M+Na-2H]- 165.021636 129.1
[M]+ 144.04642142 128.2
[M]- 144.04751858 128.2
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