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 147.9
[M+Na]+ 248.03518 157.3
[M+NH4]+ 243.07978 155.1
[M+K]+ 264.00912 153.1
[M-H]- 224.03868 148.7
[M+Na-2H]- 246.02063 151.6
[M]+ 225.04541 149.6
[M]- 225.04651 149.6
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