CID 11458643

127285-09-0

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

C1CN(CCC1CN)CCC2=CC=CC=C2

InChI

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

InChIKey

NPGJAUWAEIPXCP-UHFFFAOYSA-N

Compound name

[1-(2-phenylethyl)piperidin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 218.1783 Da
Monoisotopic Mass: 2.0
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	152.8
[M+Na]+	241.167518	156.4
[M-H]-	217.171024	156.2
[M+NH4]+	236.212123	169.0
[M+K]+	257.141458	152.5
[M+H-H2O]+	201.175560	144.3
[M+HCOO]-	263.176501	171.9
[M+CH3COO]-	277.192151	191.0
[M+Na-2H]-	239.152966	156.5
[M]+	218.17775142	146.7
[M]-	218.17884858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe