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 159.1
[M+Na]+ 282.07705 165.8
[M-H]- 258.08055 161.0
[M+NH4]+ 277.12165 177.1
[M+K]+ 298.05099 163.9
[M+H-H2O]+ 242.08509 152.9
[M+HCOO]- 304.08603 174.7
[M+CH3COO]- 318.10168 191.9
[M+Na-2H]- 280.06250 156.5
[M]+ 259.08728 164.0
[M]- 259.08838 164.0
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.