CID 23283855

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

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=NC(=C1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)7-5-11-8(14-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
InChIKey
VRFBRJSRHCNIAO-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 140.8
[M+Na]+ 229.00422 150.6
[M-H]- 205.00772 144.7
[M+NH4]+ 224.04882 158.8
[M+K]+ 244.97816 147.1
[M+H-H2O]+ 189.01226 133.9
[M+HCOO]- 251.01320 158.3
[M+CH3COO]- 265.02885 154.0
[M+Na-2H]- 226.98967 143.4
[M]+ 206.01445 142.5
[M]- 206.01555 142.5
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