CID 217331

Beta-methyl-4-piperidinophenethylamine dihydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CC(CN)C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C14H22N2/c1-12(11-15)13-5-7-14(8-6-13)16-9-3-2-4-10-16/h5-8,12H,2-4,9-11,15H2,1H3

InChIKey

MVXCGOTUGUHJSH-UHFFFAOYSA-N

Compound name

2-(4-piperidin-1-ylphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 218.1783 Da
Monoisotopic Mass: 2.5
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	153.3
[M+Na]+	241.167518	156.6
[M-H]-	217.171024	156.9
[M+NH4]+	236.212123	169.4
[M+K]+	257.141458	153.3
[M+H-H2O]+	201.175560	145.0
[M+HCOO]-	263.176501	171.5
[M+CH3COO]-	277.192151	191.8
[M+Na-2H]-	239.152966	155.8
[M]+	218.17775142	146.6
[M]-	218.17884858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe