CID 19787139

3-ethyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CCC1=C(NC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C11H11NO2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)

InChIKey

XOALTXJYIZPUCD-UHFFFAOYSA-N

Compound name

3-ethyl-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 189.07898 Da
Monoisotopic Mass: 2.7
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]+	190.08626	139.4
[M+Na]+	212.06820	152.0
[M+NH4]+	207.11280	147.3
[M+K]+	228.04214	148.0
[M-H]-	188.07170	139.9
[M+Na-2H]-	210.05365	144.6
[M]+	189.07843	141.2
[M]-	189.07953	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe