CID 79020173

3-(pyridin-4-yl)-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CN=CC=C1C2=NSC(=C2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKey
DLNXFINXEDXMND-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02228 141.7
[M+Na]+ 229.00422 154.2
[M+NH4]+ 224.04882 149.6
[M+K]+ 244.97816 148.6
[M-H]- 205.00772 143.6
[M+Na-2H]- 226.98967 148.7
[M]+ 206.01445 144.3
[M]- 206.01555 144.3
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