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

12
Patents

225.04596 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.053236 147.8
[M+Na]+ 248.035178 154.6
[M-H]- 224.038684 149.4
[M+NH4]+ 243.079783 164.8
[M+K]+ 264.009118 150.3
[M+H-H2O]+ 208.043220 142.1
[M+HCOO]- 270.044161 160.4
[M+CH3COO]- 284.059811 178.0
[M+Na-2H]- 246.020626 146.8
[M]+ 225.04541142 144.6
[M]- 225.04650858 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