CID 155884437

Alpha-pcyp

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

C1CCC(CC1)C(C(=O)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C18H25NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h2,5-6,11-12,15,17H,1,3-4,7-10,13-14H2

InChIKey

FKEHRWJWTWDTDB-UHFFFAOYSA-N

Compound name

2-cyclohexyl-1-phenyl-2-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 271.1936 Da
Monoisotopic Mass: 4.6
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]+	272.200876	167.8
[M+Na]+	294.182818	168.3
[M-H]-	270.186324	173.8
[M+NH4]+	289.227423	182.9
[M+K]+	310.156758	164.7
[M+H-H2O]+	254.190860	158.5
[M+HCOO]-	316.191801	182.8
[M+CH3COO]-	330.207451	176.6
[M+Na-2H]-	292.168266	165.8
[M]+	271.19305142	159.1
[M]-	271.19414858	159.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.