CID 3068351

83363-31-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CN1CCC=C(C1)C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C14H16N2/c1-16-9-3-4-11(10-16)12-5-2-6-14-13(12)7-8-15-14/h2,4-8,15H,3,9-10H2,1H3

InChIKey

RHOPWCFZEKQAFD-UHFFFAOYSA-N

Compound name

4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 212.13135 Da
Monoisotopic Mass: 2.3
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]+	213.138626	147.4
[M+Na]+	235.120568	156.0
[M-H]-	211.124074	151.1
[M+NH4]+	230.165173	165.7
[M+K]+	251.094508	150.4
[M+H-H2O]+	195.128610	139.3
[M+HCOO]-	257.129551	166.9
[M+CH3COO]-	271.145201	159.6
[M+Na-2H]-	233.106016	152.8
[M]+	212.13080142	144.6
[M]-	212.13189858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe