CID 6708491

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

Structural Information

Molecular Formula
C10H11NO3S
SMILES
C1[C@H](NC(S1)C2=CC(=CC=C2)O)C(=O)O
InChI
InChI=1S/C10H11NO3S/c12-7-3-1-2-6(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
FJKZSYINEIIGCM-IENPIDJESA-N
Compound name
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe