CID 2056198

(e)-1-cinnamoylpyrrolidine

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-HJWRWDBZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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]+	202.12265	148.2
[M+Na]+	224.10459	159.6
[M+NH4]+	219.14919	156.6
[M+K]+	240.07853	154.1
[M-H]-	200.10809	151.0
[M+Na-2H]-	222.09004	154.9
[M]+	201.11482	150.4
[M]-	201.11592	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe