CID 29557

3-(5-ethyl-1-methylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula

C₁₅H₂₀N₂

SMILES

CCC1CCC(N1C)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C15H20N2/c1-3-11-8-9-15(17(11)2)13-10-16-14-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3

InChIKey

SCSHLMQESUQPEU-UHFFFAOYSA-N

Compound name

3-(5-ethyl-1-methylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.16264 Da
Monoisotopic Mass: 3.4
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]+	229.169916	154.1
[M+Na]+	251.151858	162.9
[M-H]-	227.155364	158.2
[M+NH4]+	246.196463	173.9
[M+K]+	267.125798	157.6
[M+H-H2O]+	211.159900	146.7
[M+HCOO]-	273.160841	174.0
[M+CH3COO]-	287.176491	166.4
[M+Na-2H]-	249.137306	155.3
[M]+	228.16209142	152.9
[M]-	228.16318858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe