CID 765514

52438-21-8

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C1CCN(C1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+

InChIKey

JSIGICUAXLIURX-CMDGGOBGSA-N

Compound name

(E)-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 76
Patents: 201.11537 Da
Monoisotopic Mass: 2.4
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]+	202.122646	146.9
[M+Na]+	224.104588	152.3
[M-H]-	200.108094	151.4
[M+NH4]+	219.149193	165.9
[M+K]+	240.078528	149.0
[M+H-H2O]+	184.112630	139.3
[M+HCOO]-	246.113571	167.9
[M+CH3COO]-	260.129221	182.1
[M+Na-2H]-	222.090036	149.7
[M]+	201.11482142	143.3
[M]-	201.11591858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe