CID 70172

73-63-2

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

C1CCN(CC1)CCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2

InChIKey

BIBARRYXKABQKJ-UHFFFAOYSA-N

Compound name

1-phenyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 105
Patents: 217.14667 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]+	218.153946	151.3
[M+Na]+	240.135888	154.7
[M-H]-	216.139394	155.0
[M+NH4]+	235.180493	167.5
[M+K]+	256.109828	151.7
[M+H-H2O]+	200.143930	142.9
[M+HCOO]-	262.144871	169.4
[M+CH3COO]-	276.160521	187.7
[M+Na-2H]-	238.121336	155.1
[M]+	217.14612142	146.6
[M]-	217.14721858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe