CID 4176264

55694-10-5

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CCOC(=O)C1CSC(=O)N1
InChI
InChI=1S/C6H9NO3S/c1-2-10-5(8)4-3-11-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKey
YIXFAUAZZLBCMW-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

175.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 136.2
[M+Na]+ 198.01954 143.6
[M-H]- 174.02304 137.2
[M+NH4]+ 193.06414 156.6
[M+K]+ 213.99348 142.1
[M+H-H2O]+ 158.02758 130.8
[M+HCOO]- 220.02852 151.5
[M+CH3COO]- 234.04417 172.6
[M+Na-2H]- 196.00499 136.0
[M]+ 175.02977 136.4
[M]- 175.03087 136.4
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

patents stripe