CID 3035061

2-thiazolidineacetic acid, 3-methyl-4-oxo-5-(1-piperidinyl)-, ethyl ester

Structural Information

Molecular Formula
C13H22N2O3S
SMILES
CCOC(=O)CC1N(C(=O)C(S1)N2CCCCC2)C
InChI
InChI=1S/C13H22N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h10,13H,3-9H2,1-2H3
InChIKey
FQMZUXIFWVBTMK-UHFFFAOYSA-N
Compound name
ethyl 2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14238 167.8
[M+Na]+ 309.12432 172.8
[M-H]- 285.12782 170.9
[M+NH4]+ 304.16892 183.2
[M+K]+ 325.09826 170.4
[M+H-H2O]+ 269.13236 160.4
[M+HCOO]- 331.13330 178.4
[M+CH3COO]- 345.14895 198.0
[M+Na-2H]- 307.10977 162.9
[M]+ 286.13455 167.1
[M]- 286.13565 167.1
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.