CID 19585

3-(2-pyrrolidinyl)-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CC(NC1)C2=CNC3=CC=CC=C32

InChI

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

InChIKey

MAVAXPFTVGSHTB-UHFFFAOYSA-N

Compound name

3-pyrrolidin-2-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 186.11569 Da
Monoisotopic Mass: 1.9
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]+	187.122966	140.0
[M+Na]+	209.104908	147.9
[M-H]-	185.108414	142.6
[M+NH4]+	204.149513	160.2
[M+K]+	225.078848	142.6
[M+H-H2O]+	169.112950	132.9
[M+HCOO]-	231.113891	159.6
[M+CH3COO]-	245.129541	152.3
[M+Na-2H]-	207.090356	144.0
[M]+	186.11514142	135.3
[M]-	186.11623858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe