CID 129844424

2749302-50-7

Structural Information

Molecular Formula

C₁₄H₁₈FNO

SMILES

CCC(C(=O)C1=CC=C(C=C1)F)N2CCCC2

InChI

InChI=1S/C14H18FNO/c1-2-13(16-9-3-4-10-16)14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3

InChIKey

BYMOJFLMEMTDDX-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 235.13724 Da
Monoisotopic Mass: 3.2
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]+	236.144516	154.6
[M+Na]+	258.126458	159.8
[M-H]-	234.129964	157.9
[M+NH4]+	253.171063	172.3
[M+K]+	274.100398	156.8
[M+H-H2O]+	218.134500	146.1
[M+HCOO]-	280.135441	172.9
[M+CH3COO]-	294.151091	191.9
[M+Na-2H]-	256.111906	154.4
[M]+	235.13669142	150.9
[M]-	235.13778858	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.