CID 13799091

41208-24-6

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

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

InChI

InChI=1S/C14H22N2/c15-14(13-7-3-1-4-8-13)9-12-16-10-5-2-6-11-16/h1,3-4,7-8,14H,2,5-6,9-12,15H2

InChIKey

AQRWYAQXDIBCCU-UHFFFAOYSA-N

Compound name

1-phenyl-3-piperidin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 218.1783 Da
Monoisotopic Mass: 2.1
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]+	219.18558	154.1
[M+Na]+	241.16752	165.2
[M+NH4]+	236.21212	163.0
[M+K]+	257.14146	157.6
[M-H]-	217.17102	158.7
[M+Na-2H]-	239.15297	161.5
[M]+	218.17775	156.8
[M]-	218.17885	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe