CID 11882190

(4s)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3S
SMILES
C1[C@@H](N(CS1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H11NO3S/c13-10(8-4-2-1-3-5-8)12-7-16-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)/t9-/m1/s1
InChIKey
GIVFXJOSWHOVIQ-SECBINFHSA-N
Compound name
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05324 151.8
[M+Na]+ 260.03518 158.4
[M-H]- 236.03868 156.0
[M+NH4]+ 255.07978 169.5
[M+K]+ 276.00912 155.5
[M+H-H2O]+ 220.04322 145.4
[M+HCOO]- 282.04416 166.3
[M+CH3COO]- 296.05981 184.1
[M+Na-2H]- 258.02063 150.7
[M]+ 237.04541 150.9
[M]- 237.04651 150.9
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

No patent data available for this compound.