CID 11970733

Einecs 280-713-3

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

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

InChIKey

MULCGBCHXCTWSK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 2.3
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	154.0
[M+Na]+	242.151528	157.3
[M-H]-	218.155034	155.4
[M+NH4]+	237.196133	171.0
[M+K]+	258.125468	153.4
[M+H-H2O]+	202.159570	146.8
[M+HCOO]-	264.160511	169.0
[M+CH3COO]-	278.176161	183.0
[M+Na-2H]-	240.136976	157.9
[M]+	219.16176142	146.7
[M]-	219.16285858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe