CID 18409676

3-(pyrrolidin-3-yl)-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CNCC1C2=CNC3=CC=CC=C32

InChI

InChI=1S/C12H14N2/c1-2-4-12-10(3-1)11(8-14-12)9-5-6-13-7-9/h1-4,8-9,13-14H,5-7H2

InChIKey

QEHMBCDTVQBATA-UHFFFAOYSA-N

Compound name

3-pyrrolidin-3-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 186.11569 Da
Monoisotopic Mass: 1.8
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]+	187.12297	140.9
[M+Na]+	209.10491	153.1
[M+NH4]+	204.14951	150.1
[M+K]+	225.07885	149.5
[M-H]-	185.10841	143.5
[M+Na-2H]-	207.09036	147.5
[M]+	186.11514	143.2
[M]-	186.11624	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe