CID 4044446

5-amino-4-methyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C3H6N4S
SMILES
CN1C(=NNC1=S)N
InChI
InChI=1S/C3H6N4S/c1-7-2(4)5-6-3(7)8/h1H3,(H2,4,5)(H,6,8)
InChIKey
FMOWTLWMBHFCJY-UHFFFAOYSA-N
Compound name
3-amino-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

130.03131 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.038586 122.8
[M+Na]+ 153.020528 134.2
[M-H]- 129.024034 122.0
[M+NH4]+ 148.065133 142.6
[M+K]+ 168.994468 130.7
[M+H-H2O]+ 113.028570 116.5
[M+HCOO]- 175.029511 139.9
[M+CH3COO]- 189.045161 168.5
[M+Na-2H]- 151.005976 125.2
[M]+ 130.03076142 121.4
[M]- 130.03185858 121.4
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