CID 11651510

Ethyl (4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CCOC(=O)[C@@H]1CSC(N1)(C)C
InChI
InChI=1S/C8H15NO2S/c1-4-11-7(10)6-5-12-8(2,3)9-6/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
VIHDGPQAWQBYEZ-LURJTMIESA-N
Compound name
ethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 141.1
[M+Na]+ 212.071568 148.4
[M-H]- 188.075074 142.0
[M+NH4]+ 207.116173 163.2
[M+K]+ 228.045508 146.8
[M+H-H2O]+ 172.079610 136.6
[M+HCOO]- 234.080551 155.4
[M+CH3COO]- 248.096201 177.0
[M+Na-2H]- 210.057016 141.4
[M]+ 189.08180142 141.7
[M]- 189.08289858 141.7
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.