CID 2724711

7-ethylindole

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

CCC1=CC=CC2=C1NC=C2

InChI

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

InChIKey

PIIZLMYXLGYWTN-UHFFFAOYSA-N

Compound name

7-ethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 697
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]+	146.096416	128.0
[M+Na]+	168.078358	138.1
[M-H]-	144.081864	130.5
[M+NH4]+	163.122963	150.8
[M+K]+	184.052298	134.1
[M+H-H2O]+	128.086400	122.3
[M+HCOO]-	190.087341	151.7
[M+CH3COO]-	204.102991	142.5
[M+Na-2H]-	166.063806	136.2
[M]+	145.08859142	128.3
[M]-	145.08968858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe