CID 55385

Ethanone, 1-(4-cyclopentylphenyl)-2-(1-piperidinyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

C1CCN(CC1)CC(=O)C2=CC=C(C=C2)C3CCCC3

InChI

InChI=1S/C18H25NO/c20-18(14-19-12-4-1-5-13-19)17-10-8-16(9-11-17)15-6-2-3-7-15/h8-11,15H,1-7,12-14H2

InChIKey

BZQLNQWUOSRXJM-UHFFFAOYSA-N

Compound name

1-(4-cyclopentylphenyl)-2-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.1936 Da
Monoisotopic Mass: 4.5
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	167.6
[M+Na]+	294.182818	169.3
[M-H]-	270.186324	173.9
[M+NH4]+	289.227423	183.0
[M+K]+	310.156758	165.2
[M+H-H2O]+	254.190860	158.3
[M+HCOO]-	316.191801	183.6
[M+CH3COO]-	330.207451	176.8
[M+Na-2H]-	292.168266	166.0
[M]+	271.19305142	159.9
[M]-	271.19414858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe