CID 202006

7275-70-9

Structural Information

Molecular Formula
C6H9N3S
SMILES
CC1=C(N=NC(=N1)SC)C
InChI
InChI=1S/C6H9N3S/c1-4-5(2)8-9-6(7-4)10-3/h1-3H3
InChIKey
YMBMXBOUDJKXSC-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

155.05171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.058986 129.0
[M+Na]+ 178.040928 140.2
[M-H]- 154.044434 129.6
[M+NH4]+ 173.085533 147.4
[M+K]+ 194.014868 137.5
[M+H-H2O]+ 138.048970 122.1
[M+HCOO]- 200.049911 145.4
[M+CH3COO]- 214.065561 176.7
[M+Na-2H]- 176.026376 133.7
[M]+ 155.05116142 132.2
[M]- 155.05225858 132.2
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