CID 23317889

1-(2,3-dihydro-1h-indol-1-yl)prop-2-en-1-one

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C=CC(=O)N1CCC2=CC=CC=C21

InChI

InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2

InChIKey

MBODXUXQQPORNR-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroindol-1-yl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 173.08406 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]+	174.091336	137.0
[M+Na]+	196.073278	145.2
[M-H]-	172.076784	140.1
[M+NH4]+	191.117883	158.8
[M+K]+	212.047218	142.1
[M+H-H2O]+	156.081320	130.8
[M+HCOO]-	218.082261	158.5
[M+CH3COO]-	232.097911	179.3
[M+Na-2H]-	194.058726	141.8
[M]+	173.08351142	135.9
[M]-	173.08460858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe