CID 3019272

Ns00058767

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCCC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21N/c1-2-8-14(9-11-15-12-10-14)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3

InChIKey

XJHVGQIPMUJULI-UHFFFAOYSA-N

Compound name

4-phenyl-4-propylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.1674 Da
Monoisotopic Mass: 3.7
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]+	204.174676	149.8
[M+Na]+	226.156618	153.9
[M-H]-	202.160124	152.5
[M+NH4]+	221.201223	168.2
[M+K]+	242.130558	149.8
[M+H-H2O]+	186.164660	142.2
[M+HCOO]-	248.165601	167.1
[M+CH3COO]-	262.181251	182.7
[M+Na-2H]-	224.142066	155.3
[M]+	203.16685142	143.4
[M]-	203.16794858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe