CID 324305

3-ethyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,11H,2H2,1H3

InChIKey

GOVXKUCVZUROAN-UHFFFAOYSA-N

Compound name

3-ethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5332
Patents: 145.08914 Da
Monoisotopic Mass: 3.0
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]+	146.09642	128.0
[M+Na]+	168.07836	138.1
[M-H]-	144.08186	130.5
[M+NH4]+	163.12296	150.8
[M+K]+	184.05230	134.1
[M+H-H2O]+	128.08640	122.3
[M+HCOO]-	190.08734	151.7
[M+CH3COO]-	204.10299	142.5
[M+Na-2H]-	166.06381	136.2
[M]+	145.08859	128.3
[M]-	145.08969	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe