CID 125424310

2060005-11-8

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CS(=NC1=CNN=C1)(=O)C
InChI
InChI=1S/C5H9N3OS/c1-10(2,9)8-5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKey
VORTWIRNKIUAOI-UHFFFAOYSA-N
Compound name
dimethyl-oxo-(1H-pyrazol-4-ylimino)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 131.6
[M+Na]+ 182.035848 141.3
[M-H]- 158.039354 133.4
[M+NH4]+ 177.080453 152.1
[M+K]+ 198.009788 139.1
[M+H-H2O]+ 142.043890 125.3
[M+HCOO]- 204.044831 150.4
[M+CH3COO]- 218.060481 173.3
[M+Na-2H]- 180.021296 136.7
[M]+ 159.04608142 132.6
[M]- 159.04717858 132.6
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.