CID 3024470

95796-02-4

Structural Information

Molecular Formula

C₂₀H₂₉NO

SMILES

CC(CN1CCCC1)C(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C20H29NO/c1-16(15-21-13-5-6-14-21)20(22)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h9-12,16-17H,2-8,13-15H2,1H3

InChIKey

JMCZHLNVCMAQSO-UHFFFAOYSA-N

Compound name

1-(4-cyclohexylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 299.2249 Da
Monoisotopic Mass: 5.2
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]+	300.232176	176.6
[M+Na]+	322.214118	177.1
[M-H]-	298.217624	182.6
[M+NH4]+	317.258723	190.8
[M+K]+	338.188058	173.1
[M+H-H2O]+	282.222160	167.2
[M+HCOO]-	344.223101	190.9
[M+CH3COO]-	358.238751	204.1
[M+Na-2H]-	320.199566	172.8
[M]+	299.22435142	169.0
[M]-	299.22544858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe