CID 65335468

1089704-57-3

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

CCOC(=O)C1=NC2=C(S1)N=CC=C2

InChI

InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3

InChIKey

WPHYGZDNIVMAAK-UHFFFAOYSA-N

Compound name

ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.03065 Da
Monoisotopic Mass: 2.2
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]+	209.03793	142.0
[M+Na]+	231.01987	155.0
[M+NH4]+	226.06447	150.4
[M+K]+	246.99381	148.7
[M-H]-	207.02337	142.9
[M+Na-2H]-	229.00532	147.7
[M]+	208.03010	144.5
[M]-	208.03120	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe