CID 56773892

Ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CCOC(=O)C1=C2C=CNC2=NC=C1

InChI

InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)

InChIKey

CKCBQXQNAUHBDX-UHFFFAOYSA-N

Compound name

ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 190.07423 Da
Monoisotopic Mass: 1.5
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]+	191.08151	139.2
[M+Na]+	213.06345	151.9
[M+NH4]+	208.10805	146.7
[M+K]+	229.03739	147.9
[M-H]-	189.06695	139.3
[M+Na-2H]-	211.04890	145.0
[M]+	190.07368	140.8
[M]-	190.07478	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe