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]+ 144.058986 129.2
[M+Na]+ 166.040928 138.1
[M-H]- 142.044434 126.4
[M+NH4]+ 161.085533 146.3
[M+K]+ 182.014868 133.7
[M+H-H2O]+ 126.048970 123.1
[M+HCOO]- 188.049911 140.2
[M+CH3COO]- 202.065561 168.3
[M+Na-2H]- 164.026376 131.4
[M]+ 143.05116142 124.9
[M]- 143.05225858 124.9
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.