CID 3005813

Nsc683724

Structural Information

Molecular Formula
C4H5N3OS
SMILES
CC1C(=O)NC(=S)N=N1
InChI
InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h2H,1H3,(H,5,8,9)
InChIKey
XDWRDBJEIRLTFD-UHFFFAOYSA-N
Compound name
6-methyl-3-sulfanylidene-6H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.01534 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02262 126.5
[M+Na]+ 166.00456 136.4
[M-H]- 142.00806 125.3
[M+NH4]+ 161.04916 144.2
[M+K]+ 181.97850 133.1
[M+H-H2O]+ 126.01260 120.2
[M+HCOO]- 188.01354 139.8
[M+CH3COO]- 202.02919 169.0
[M+Na-2H]- 163.99001 129.7
[M]+ 143.01479 124.4
[M]- 143.01589 124.4
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

No patent data available for this compound.