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]+ 160.05391 130.9
[M+Na]+ 182.03585 138.9
[M-H]- 158.03935 135.2
[M+NH4]+ 177.08045 153.0
[M+K]+ 198.00979 138.5
[M+H-H2O]+ 142.04389 124.3
[M+HCOO]- 204.04483 152.2
[M+CH3COO]- 218.06048 180.9
[M+Na-2H]- 180.02130 133.9
[M]+ 159.04608 132.1
[M]- 159.04718 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.