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

40
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 126.6
[M+Na]+ 167.03619 137.8
[M-H]- 143.03969 127.1
[M+NH4]+ 162.08079 146.7
[M+K]+ 183.01013 135.7
[M+H-H2O]+ 127.04423 119.9
[M+HCOO]- 189.04517 144.8
[M+CH3COO]- 203.06082 174.8
[M+Na-2H]- 165.02164 129.1
[M]+ 144.04642 128.2
[M]- 144.04752 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