CID 3043865

56223-67-7

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC1C(=NNC(=S)N1)C
InChI
InChI=1S/C5H9N3S/c1-3-4(2)7-8-5(9)6-3/h3H,1-2H3,(H2,6,8,9)
InChIKey
FKNAZAGRTYPDHL-UHFFFAOYSA-N
Compound name
5,6-dimethyl-4,5-dihydro-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 130.2
[M+Na]+ 166.04093 141.5
[M+NH4]+ 161.08553 137.8
[M+K]+ 182.01487 134.3
[M-H]- 142.04443 129.8
[M+Na-2H]- 164.02638 133.8
[M]+ 143.05116 131.9
[M]- 143.05226 131.9
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

No patent data available for this compound.