CID 3053036

As-triazine, 5-cyclopropyl-3-(methylthio)-

Structural Information

Molecular Formula
C7H9N3S
SMILES
CSC1=NC(=CN=N1)C2CC2
InChI
InChI=1S/C7H9N3S/c1-11-7-9-6(4-8-10-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
YEXGZTRYYPXSAQ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

167.05171 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 138.6
[M+Na]+ 190.040928 150.1
[M-H]- 166.044434 142.5
[M+NH4]+ 185.085533 151.3
[M+K]+ 206.014868 146.0
[M+H-H2O]+ 150.048970 130.2
[M+HCOO]- 212.049911 155.7
[M+CH3COO]- 226.065561 151.2
[M+Na-2H]- 188.026376 143.3
[M]+ 167.05116142 142.4
[M]- 167.05225858 142.4
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