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]+ 160.05391 132.9
[M+Na]+ 182.03585 142.5
[M+NH4]+ 177.08045 140.1
[M+K]+ 198.00979 137.9
[M-H]- 158.03935 132.5
[M+Na-2H]- 180.02130 137.5
[M]+ 159.04608 134.3
[M]- 159.04718 134.3
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.