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 129.2
[M+Na]+ 166.04093 138.1
[M-H]- 142.04443 126.4
[M+NH4]+ 161.08553 146.3
[M+K]+ 182.01487 133.7
[M+H-H2O]+ 126.04897 123.1
[M+HCOO]- 188.04991 140.2
[M+CH3COO]- 202.06556 168.3
[M+Na-2H]- 164.02638 131.4
[M]+ 143.05116 124.9
[M]- 143.05226 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.