CID 29458

19137-80-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂

SMILES

CC1(CCC(N1C)C2=CNC3=CC=CC=C32)C

InChI

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

InChIKey

CTLWQMICLDLMLR-UHFFFAOYSA-N

Compound name

3-(1,5,5-trimethylpyrrolidin-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.16264 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]+	229.169916	153.2
[M+Na]+	251.151858	163.2
[M-H]-	227.155364	157.8
[M+NH4]+	246.196463	175.2
[M+K]+	267.125798	157.9
[M+H-H2O]+	211.159900	146.3
[M+HCOO]-	273.160841	173.3
[M+CH3COO]-	287.176491	166.1
[M+Na-2H]-	249.137306	155.6
[M]+	228.16209142	152.4
[M]-	228.16318858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe