CID 6447372

Acetic acid, 2-(3-ethoxyethyl-4-oxo-2-thiazolidinylidene)-, ethyl ester

Structural Information

Molecular Formula
C11H17NO4S
SMILES
CCOCCN\1C(=O)CS/C1=C/C(=O)OCC
InChI
InChI=1S/C11H17NO4S/c1-3-15-6-5-12-9(13)8-17-10(12)7-11(14)16-4-2/h7H,3-6,8H2,1-2H3/b10-7+
InChIKey
AIDZNDQLKZXKOS-JXMROGBWSA-N
Compound name
ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08783 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09511 161.8
[M+Na]+ 282.07705 169.2
[M+NH4]+ 277.12165 167.4
[M+K]+ 298.05099 164.4
[M-H]- 258.08055 160.1
[M+Na-2H]- 280.06250 161.8
[M]+ 259.08728 162.3
[M]- 259.08838 162.3
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.