CID 3059327

76326-94-8

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CNN(C)C1=NC(=O)SC1
InChI
InChI=1S/C5H9N3OS/c1-6-8(2)4-3-10-5(9)7-4/h6H,3H2,1-2H3
InChIKey
ILZLWAOQGYLMMG-UHFFFAOYSA-N
Compound name
4-[methyl(methylamino)amino]-5H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 130.9
[M+Na]+ 182.035848 138.9
[M-H]- 158.039354 135.2
[M+NH4]+ 177.080453 153.0
[M+K]+ 198.009788 138.5
[M+H-H2O]+ 142.043890 124.3
[M+HCOO]- 204.044831 152.2
[M+CH3COO]- 218.060481 180.9
[M+Na-2H]- 180.021296 133.9
[M]+ 159.04608142 132.1
[M]- 159.04717858 132.1
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.