CID 214051

4-methyl-6-(methylthio)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C5H8N4S
SMILES
CC1=NC(=NC(=N1)SC)N
InChI
InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChIKey
CQORBMDQIUWHGC-UHFFFAOYSA-N
Compound name
4-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

156.04697 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 129.6
[M+Na]+ 179.03619 140.4
[M-H]- 155.03969 129.8
[M+NH4]+ 174.08079 147.3
[M+K]+ 195.01013 137.2
[M+H-H2O]+ 139.04423 122.5
[M+HCOO]- 201.04517 146.7
[M+CH3COO]- 215.06082 177.7
[M+Na-2H]- 177.02164 134.3
[M]+ 156.04642 130.7
[M]- 156.04752 130.7
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