CID 327595

72678-82-1

Structural Information

Molecular Formula
C10H11NO3S
SMILES
C1C(NC(S1)C2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C10H11NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,9,11-12H,5H2,(H,13,14)
InChIKey
APAUAYLVDHNFBF-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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

literature stripe

Patent stripe

patents stripe