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: 35
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]+	219.185576	153.1
[M+Na]+	241.167518	155.4
[M-H]-	217.171024	156.2
[M+NH4]+	236.212123	168.8
[M+K]+	257.141458	152.0
[M+H-H2O]+	201.175560	144.5
[M+HCOO]-	263.176501	171.2
[M+CH3COO]-	277.192151	190.7
[M+Na-2H]-	239.152966	156.3
[M]+	218.17775142	146.0
[M]-	218.17884858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe