CID 4777667

5-ethoxy-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CCOC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C10H11NO/c1-2-12-9-3-4-10-8(7-9)5-6-11-10/h3-7,11H,2H2,1H3

InChIKey

IEKPDICCMASELW-UHFFFAOYSA-N

Compound name

5-ethoxy-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 161.08406 Da
Monoisotopic Mass: 2.4
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]+	162.091336	131.3
[M+Na]+	184.073278	141.3
[M-H]-	160.076784	133.8
[M+NH4]+	179.117883	153.4
[M+K]+	200.047218	137.9
[M+H-H2O]+	144.081320	125.5
[M+HCOO]-	206.082261	155.2
[M+CH3COO]-	220.097911	145.7
[M+Na-2H]-	182.058726	139.6
[M]+	161.08351142	133.1
[M]-	161.08460858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe