CID 417413

51304-59-7

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCCOC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21NO/c1-2-12-16-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3

InChIKey

ODLGSHHBBCINCC-UHFFFAOYSA-N

Compound name

4-phenyl-4-propoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 219.16231 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]+	220.169586	153.2
[M+Na]+	242.151528	157.2
[M-H]-	218.155034	155.8
[M+NH4]+	237.196133	170.9
[M+K]+	258.125468	153.7
[M+H-H2O]+	202.159570	145.4
[M+HCOO]-	264.160511	170.7
[M+CH3COO]-	278.176161	184.7
[M+Na-2H]-	240.136976	158.7
[M]+	219.16176142	148.3
[M]-	219.16285858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe