CID 3074293

4-thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester

Structural Information

Molecular Formula
C13H23NO2S3
SMILES
CCOC(=O)C1CSC(N1)(C)CCC2(SCCS2)C
InChI
InChI=1S/C13H23NO2S3/c1-4-16-11(15)10-9-19-12(2,14-10)5-6-13(3)17-7-8-18-13/h10,14H,4-9H2,1-3H3
InChIKey
GJZRHIIPCWNHGY-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09636 169.9
[M+Na]+ 344.07830 175.7
[M-H]- 320.08180 171.8
[M+NH4]+ 339.12290 189.9
[M+K]+ 360.05224 171.3
[M+H-H2O]+ 304.08634 167.0
[M+HCOO]- 366.08728 171.4
[M+CH3COO]- 380.10293 198.2
[M+Na-2H]- 342.06375 167.0
[M]+ 321.08853 170.1
[M]- 321.08963 170.1
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.