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 126.1
[M+Na]+ 167.02496 135.5
[M-H]- 143.02846 127.3
[M+NH4]+ 162.06956 147.7
[M+K]+ 182.99890 132.2
[M+H-H2O]+ 127.03300 120.5
[M+HCOO]- 189.03394 145.4
[M+CH3COO]- 203.04959 169.7
[M+Na-2H]- 165.01041 128.7
[M]+ 144.03519 125.5
[M]- 144.03629 125.5
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.