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]+ 160.05391 130.3
[M+Na]+ 182.03585 138.9
[M-H]- 158.03935 132.2
[M+NH4]+ 177.08045 151.4
[M+K]+ 198.00979 136.3
[M+H-H2O]+ 142.04389 124.1
[M+HCOO]- 204.04483 149.8
[M+CH3COO]- 218.06048 178.0
[M+Na-2H]- 180.02130 131.3
[M]+ 159.04608 128.7
[M]- 159.04718 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.