CID 20277625

7-ethyl-n-methylindole

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CCC1=CC=CC2=C1N(C=C2)C

InChI

InChI=1S/C11H13N/c1-3-9-5-4-6-10-7-8-12(2)11(9)10/h4-8H,3H2,1-2H3

InChIKey

PNBISRBPZVZDNJ-UHFFFAOYSA-N

Compound name

7-ethyl-1-methylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 159.1048 Da
Monoisotopic Mass: 2.8
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]+	160.11208	132.1
[M+Na]+	182.09402	147.2
[M+NH4]+	177.13862	142.4
[M+K]+	198.06796	140.8
[M-H]-	158.09752	135.2
[M+Na-2H]-	180.07947	140.1
[M]+	159.10425	135.3
[M]-	159.10535	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe