CID 60194536

Thiazolidine derivative 2

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1[C@H](NC(S1)C2=C(C=C(C=C2)O)O)C(=O)O
InChI
InChI=1S/C10H11NO4S/c12-5-1-2-6(8(13)3-5)9-11-7(4-16-9)10(14)15/h1-3,7,9,11-13H,4H2,(H,14,15)/t7-,9?/m0/s1
InChIKey
GYBITJROHWLVSE-JAVCKPHESA-N
Compound name
(4R)-2-(2,4-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

241.04088 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 150.8
[M+Na]+ 264.03010 157.7
[M-H]- 240.03360 151.3
[M+NH4]+ 259.07470 166.5
[M+K]+ 280.00404 153.1
[M+H-H2O]+ 224.03814 145.4
[M+HCOO]- 286.03908 161.9
[M+CH3COO]- 300.05473 179.2
[M+Na-2H]- 262.01555 148.9
[M]+ 241.04033 147.6
[M]- 241.04143 147.6
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