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

22
Patents

155.05171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05899 129.0
[M+Na]+ 178.04093 140.2
[M-H]- 154.04443 129.6
[M+NH4]+ 173.08553 147.4
[M+K]+ 194.01487 137.5
[M+H-H2O]+ 138.04897 122.1
[M+HCOO]- 200.04991 145.4
[M+CH3COO]- 214.06556 176.7
[M+Na-2H]- 176.02638 133.7
[M]+ 155.05116 132.2
[M]- 155.05226 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