CID 295642

1-[2-(1h-indol-3-yl)ethyl]pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

C1CC(=O)N(C1)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H16N2O/c17-14-6-3-8-16(14)9-7-11-10-15-13-5-2-1-4-12(11)13/h1-2,4-5,10,15H,3,6-9H2

InChIKey

HUULIVDXAQTZEE-UHFFFAOYSA-N

Compound name

1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 228.12627 Da
Monoisotopic Mass: 2.1
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]+	229.133546	151.6
[M+Na]+	251.115488	160.1
[M-H]-	227.118994	155.6
[M+NH4]+	246.160093	170.9
[M+K]+	267.089428	155.1
[M+H-H2O]+	211.123530	144.0
[M+HCOO]-	273.124471	172.3
[M+CH3COO]-	287.140121	163.9
[M+Na-2H]-	249.100936	154.1
[M]+	228.12572142	150.4
[M]-	228.12681858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe