CID 214802

34272-68-9

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1=CC=NC(=C1)C2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C10H8N2O2S/c13-9(14)5-7-6-15-10(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2,(H,13,14)

InChIKey

GVNODPPFELQGRH-UHFFFAOYSA-N

Compound name

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 220.03065 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.03793	145.3
[M+Na]+	243.01987	154.6
[M-H]-	219.02337	148.9
[M+NH4]+	238.06447	162.6
[M+K]+	258.99381	150.8
[M+H-H2O]+	203.02791	138.1
[M+HCOO]-	265.02885	162.4
[M+CH3COO]-	279.04450	181.7
[M+Na-2H]-	241.00532	147.4
[M]+	220.03010	147.2
[M]-	220.03120	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe