CID 4028895

2228155-76-6

Structural Information

Molecular Formula
C5H7N3S
SMILES
CC1=NC(=S)NN=C1C
InChI
InChI=1S/C5H7N3S/c1-3-4(2)7-8-5(9)6-3/h1-2H3,(H,6,8,9)
InChIKey
LVLZPNSPPJPGQM-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

141.03607 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 125.0
[M+Na]+ 164.025288 136.5
[M-H]- 140.028794 124.4
[M+NH4]+ 159.069893 143.2
[M+K]+ 179.999228 132.4
[M+H-H2O]+ 124.033330 118.7
[M+HCOO]- 186.034271 140.4
[M+CH3COO]- 200.049921 170.2
[M+Na-2H]- 162.010736 129.7
[M]+ 141.03552142 125.3
[M]- 141.03661858 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe