CID 197940

15847-64-0

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CCC(=O)C1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c1-2-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3

InChIKey

JKRWYYCQYDMMBO-UHFFFAOYSA-N

Compound name

1-(4-phenylpiperidin-4-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 217.14667 Da
Monoisotopic Mass: 1.9
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]+	218.15395	153.3
[M+Na]+	240.13589	165.1
[M+NH4]+	235.18049	163.1
[M+K]+	256.10983	155.9
[M-H]-	216.13939	156.5
[M+Na-2H]-	238.12134	161.8
[M]+	217.14612	155.9
[M]-	217.14722	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe