CID 3032868

4-amino-6-methyl-1,3,5-triazine-2-thiol

Structural Information

Molecular Formula
C4H6N4S
SMILES
CC1=NC(=S)N=C(N1)N
InChI
InChI=1S/C4H6N4S/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
InChIKey
SBTXDBYYCGHGLK-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

142.03131 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 125.6
[M+Na]+ 165.020528 136.6
[M-H]- 141.024034 124.5
[M+NH4]+ 160.065133 143.1
[M+K]+ 180.994468 132.1
[M+H-H2O]+ 125.028570 119.1
[M+HCOO]- 187.029511 141.6
[M+CH3COO]- 201.045161 171.4
[M+Na-2H]- 163.005976 130.2
[M]+ 142.03076142 123.8
[M]- 142.03185858 123.8
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