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

20
Patents

167.05171 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05899 138.6
[M+Na]+ 190.04093 150.1
[M-H]- 166.04443 142.5
[M+NH4]+ 185.08553 151.3
[M+K]+ 206.01487 146.0
[M+H-H2O]+ 150.04897 130.2
[M+HCOO]- 212.04991 155.7
[M+CH3COO]- 226.06556 151.2
[M+Na-2H]- 188.02638 143.3
[M]+ 167.05116 142.4
[M]- 167.05226 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