CID 54231762

190063-02-6

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

CCOC(=O)[C@@H]1CSC(N1)C

InChI

InChI=1S/C7H13NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-6,8H,3-4H2,1-2H3/t5?,6-/m0/s1

InChIKey

QJUCAYHPLVZBJP-GDVGLLTNSA-N

Compound name

ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.0667 Da
Monoisotopic Mass: 1.1
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]+	176.073976	138.4
[M+Na]+	198.055918	145.4
[M-H]-	174.059424	139.3
[M+NH4]+	193.100523	159.1
[M+K]+	214.029858	143.7
[M+H-H2O]+	158.063960	133.0
[M+HCOO]-	220.064901	153.0
[M+CH3COO]-	234.080551	174.4
[M+Na-2H]-	196.041366	137.6
[M]+	175.06615142	138.3
[M]-	175.06724858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.