CID 4203428

4-ethoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CCOC1=CC=CC2=C1C=C(N2)C(=O)O

InChI

InChI=1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)

InChIKey

LJWIZTFZBBEWOJ-UHFFFAOYSA-N

Compound name

4-ethoxy-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.0739 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]+	206.08118	142.6
[M+Na]+	228.06312	154.7
[M+NH4]+	223.10772	149.9
[M+K]+	244.03706	151.3
[M-H]-	204.06662	142.6
[M+Na-2H]-	226.04857	147.3
[M]+	205.07335	144.1
[M]-	205.07445	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe