CID 353316

21891-56-5

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
CC1=NC=C(C(=C1O)C2NC(CS2)C(=O)O)CO
InChI
InChI=1S/C11H14N2O4S/c1-5-9(15)8(6(3-14)2-12-5)10-13-7(4-18-10)11(16)17/h2,7,10,13-15H,3-4H2,1H3,(H,16,17)
InChIKey
CDNKRUFYOOECEU-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.0674 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 160.4
[M+Na]+ 293.05662 168.9
[M+NH4]+ 288.10122 165.5
[M+K]+ 309.03056 166.0
[M-H]- 269.06012 159.4
[M+Na-2H]- 291.04207 161.8
[M]+ 270.06685 161.2
[M]- 270.06795 161.2
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