CID 4285155

50739-30-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

C1C(NC(S1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H13NO2S/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)

InChIKey

SNFSDSLKMQQXDU-UHFFFAOYSA-N

Compound name

2-benzyl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 223.0667 Da
Monoisotopic Mass: -0.3
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]+	224.073976	149.0
[M+Na]+	246.055918	155.3
[M-H]-	222.059424	151.6
[M+NH4]+	241.100523	166.7
[M+K]+	262.029858	151.0
[M+H-H2O]+	206.063960	142.8
[M+HCOO]-	268.064901	162.6
[M+CH3COO]-	282.080551	180.1
[M+Na-2H]-	244.041366	148.4
[M]+	223.06615142	146.2
[M]-	223.06724858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe