CID 26393

Pyr-t

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1CCN(C1)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(11-15-14)7-10-16-8-3-4-9-16/h1-2,5-6,11,15H,3-4,7-10H2

InChIKey

CVTZCBLFHNGYDQ-UHFFFAOYSA-N

Compound name

3-(2-pyrrolidin-1-ylethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 214.147 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]+	215.15428	149.0
[M+Na]+	237.13622	156.4
[M-H]-	213.13972	152.5
[M+NH4]+	232.18082	168.7
[M+K]+	253.11016	151.5
[M+H-H2O]+	197.14426	141.1
[M+HCOO]-	259.14520	169.3
[M+CH3COO]-	273.16085	161.0
[M+Na-2H]-	235.12167	152.2
[M]+	214.14645	146.7
[M]-	214.14755	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe