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

21
Patents

130.03131 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03859 122.8
[M+Na]+ 153.02053 134.2
[M-H]- 129.02403 122.0
[M+NH4]+ 148.06513 142.6
[M+K]+ 168.99447 130.7
[M+H-H2O]+ 113.02857 116.5
[M+HCOO]- 175.02951 139.9
[M+CH3COO]- 189.04516 168.5
[M+Na-2H]- 151.00598 125.2
[M]+ 130.03076 121.4
[M]- 130.03186 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