CID 3023530

2-amino-4-oxo-5-(aminoethyl)-2-thioazoline dihydrobromide

Structural Information

Molecular Formula
C5H9N3OS
SMILES
C(CN)C1C(=O)N=C(S1)N
InChI
InChI=1S/C5H9N3OS/c6-2-1-3-4(9)8-5(7)10-3/h3H,1-2,6H2,(H2,7,8,9)
InChIKey
JMTHCNJTYUQBEC-UHFFFAOYSA-N
Compound name
2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 130.3
[M+Na]+ 182.035848 138.9
[M-H]- 158.039354 132.2
[M+NH4]+ 177.080453 151.4
[M+K]+ 198.009788 136.3
[M+H-H2O]+ 142.043890 124.1
[M+HCOO]- 204.044831 149.8
[M+CH3COO]- 218.060481 178.0
[M+Na-2H]- 180.021296 131.3
[M]+ 159.04608142 128.7
[M]- 159.04717858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.