CID 13946769

(4r)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H11NO3S
SMILES
C1[C@H](NC(S1)C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C10H11NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)/t8-,9?/m0/s1
InChIKey
TWPYJYQNZHPNGQ-IENPIDJESA-N
Compound name
(4R)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

225.04596 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05324 147.8
[M+Na]+ 248.03518 154.6
[M-H]- 224.03868 149.4
[M+NH4]+ 243.07978 164.8
[M+K]+ 264.00912 150.3
[M+H-H2O]+ 208.04322 142.1
[M+HCOO]- 270.04416 160.4
[M+CH3COO]- 284.05981 178.0
[M+Na-2H]- 246.02063 146.8
[M]+ 225.04541 144.6
[M]- 225.04651 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe