CID 1268034

20939-15-5

Structural Information

Molecular Formula
C3H6N4S
SMILES
CC1=NNC(=S)N1N
InChI
InChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h4H2,1H3,(H,6,8)
InChIKey
KBKNKJFPVHUXCW-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

172
Patents

130.03131 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03859 124.1
[M+Na]+ 153.02053 134.6
[M+NH4]+ 148.06513 131.4
[M+K]+ 168.99447 130.0
[M-H]- 129.02403 123.8
[M+Na-2H]- 151.00598 127.9
[M]+ 130.03076 125.6
[M]- 130.03186 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe