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]+ 238.053236 151.8
[M+Na]+ 260.035178 158.4
[M-H]- 236.038684 156.0
[M+NH4]+ 255.079783 169.5
[M+K]+ 276.009118 155.5
[M+H-H2O]+ 220.043220 145.4
[M+HCOO]- 282.044161 166.3
[M+CH3COO]- 296.059811 184.1
[M+Na-2H]- 258.020626 150.7
[M]+ 237.04541142 150.9
[M]- 237.04650858 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.