CID 29939757

3469-63-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CCOC(=O)C1=CC2=CC(=NC=C2N1)OC

InChI

InChI=1S/C11H12N2O3/c1-3-16-11(14)8-4-7-5-10(15-2)12-6-9(7)13-8/h4-6,13H,3H2,1-2H3

InChIKey

HHISWAOZOHNXMF-UHFFFAOYSA-N

Compound name

ethyl 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 220.0848 Da
Monoisotopic Mass: 1.8
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]+	221.09208	146.1
[M+Na]+	243.07402	156.3
[M-H]-	219.07752	147.5
[M+NH4]+	238.11862	164.4
[M+K]+	259.04796	153.5
[M+H-H2O]+	203.08206	139.2
[M+HCOO]-	265.08300	167.9
[M+CH3COO]-	279.09865	185.0
[M+Na-2H]-	241.05947	151.8
[M]+	220.08425	150.6
[M]-	220.08535	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe