CID 125424310

Dimethyl[(1h-pyrazol-4-yl)imino]-lambda6-sulfanone dihydrochloride

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 131.6
[M+Na]+ 182.03585 141.3
[M-H]- 158.03935 133.4
[M+NH4]+ 177.08045 152.1
[M+K]+ 198.00979 139.1
[M+H-H2O]+ 142.04389 125.3
[M+HCOO]- 204.04483 150.4
[M+CH3COO]- 218.06048 173.3
[M+Na-2H]- 180.02130 136.7
[M]+ 159.04608 132.6
[M]- 159.04718 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.