CID 6447372

Delta(sup 2,alpha)-thiazolidineacetic acid, 3-ethoxyethyl-4-oxo-, 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]+ 260.095106 159.1
[M+Na]+ 282.077048 165.8
[M-H]- 258.080554 161.0
[M+NH4]+ 277.121653 177.1
[M+K]+ 298.050988 163.9
[M+H-H2O]+ 242.085090 152.9
[M+HCOO]- 304.086031 174.7
[M+CH3COO]- 318.101681 191.9
[M+Na-2H]- 280.062496 156.5
[M]+ 259.08728142 164.0
[M]- 259.08837858 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.