CID 13043047

27282-89-9

Structural Information

Molecular Formula
C4H6N4S
SMILES
CSC1=NC=NC(=N1)N
InChI
InChI=1S/C4H6N4S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChIKey
SQROAKSRUALIEJ-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

142.03131 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 124.9
[M+Na]+ 165.020528 135.2
[M-H]- 141.024034 124.8
[M+NH4]+ 160.065133 142.8
[M+K]+ 180.994468 132.3
[M+H-H2O]+ 125.028570 117.7
[M+HCOO]- 187.029511 142.3
[M+CH3COO]- 201.045161 173.6
[M+Na-2H]- 163.005976 130.8
[M]+ 142.03076142 125.2
[M]- 142.03185858 125.2
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