CID 39119325

4-(2-aminoethyl)-2,3-dihydro-1,3-thiazol-2-one hydrochloride

Structural Information

Molecular Formula
C5H8N2OS
SMILES
C1=C(NC(=O)S1)CCN
InChI
InChI=1S/C5H8N2OS/c6-2-1-4-3-9-5(8)7-4/h3H,1-2,6H2,(H,7,8)
InChIKey
WASGPQJEQSYOSY-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.03574 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 127.5
[M+Na]+ 167.02496 137.1
[M+NH4]+ 162.06956 135.6
[M+K]+ 182.99890 132.0
[M-H]- 143.02846 128.2
[M+Na-2H]- 165.01041 131.6
[M]+ 144.03519 129.2
[M]- 144.03629 129.2
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.