CID 13011878

Ethyl l-thiazolidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CCOC(=O)[C@@H]1CSCN1

InChI

InChI=1S/C6H11NO2S/c1-2-9-6(8)5-3-10-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1

InChIKey

ZRBNETYZYOXTLS-YFKPBYRVSA-N

Compound name

ethyl (4R)-1,3-thiazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 161.05106 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.05834	134.6
[M+Na]+	184.04028	141.1
[M-H]-	160.04378	135.3
[M+NH4]+	179.08488	155.5
[M+K]+	200.01422	139.7
[M+H-H2O]+	144.04832	129.0
[M+HCOO]-	206.04926	149.6
[M+CH3COO]-	220.06491	170.3
[M+Na-2H]-	182.02573	134.9
[M]+	161.05051	133.7
[M]-	161.05161	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe