CID 99985

51226-84-7

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1C(NC(S1)C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-4,7-8,11H,5H2,(H,12,13)
InChIKey
IYYUJCKJSSPXQQ-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

626
Patents

210.0463 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 144.0
[M+Na]+ 233.035518 151.2
[M-H]- 209.039024 145.6
[M+NH4]+ 228.080123 160.9
[M+K]+ 249.009458 147.3
[M+H-H2O]+ 193.043560 137.3
[M+HCOO]- 255.044501 157.1
[M+CH3COO]- 269.060151 155.3
[M+Na-2H]- 231.020966 144.3
[M]+ 210.04575142 141.1
[M]- 210.04684858 141.1
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