CID 13011878

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

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

2
Annotation Hits: 0
References: 116
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]+	162.058336	134.6
[M+Na]+	184.040278	141.1
[M-H]-	160.043784	135.3
[M+NH4]+	179.084883	155.5
[M+K]+	200.014218	139.7
[M+H-H2O]+	144.048320	129.0
[M+HCOO]-	206.049261	149.6
[M+CH3COO]-	220.064911	170.3
[M+Na-2H]-	182.025726	134.9
[M]+	161.05051142	133.7
[M]-	161.05160858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe