CID 80478263

Ethyl 3-oxo-3-(1,3-thiazol-5-yl)propanoate

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CCOC(=O)CC(=O)C1=CN=CS1
InChI
InChI=1S/C8H9NO3S/c1-2-12-8(11)3-6(10)7-4-9-5-13-7/h4-5H,2-3H2,1H3
InChIKey
VNKSPYXTDAPDCL-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-(1,3-thiazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03032 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 143.3
[M+Na]+ 222.01954 152.5
[M+NH4]+ 217.06414 150.3
[M+K]+ 237.99348 148.0
[M-H]- 198.02304 142.7
[M+Na-2H]- 220.00499 146.5
[M]+ 199.02977 144.5
[M]- 199.03087 144.5
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.