CID 3064318

Piperidine, 1-(2-(n-methylanilino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CN(CCN1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H22N2/c1-15(14-8-4-2-5-9-14)12-13-16-10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-13H2,1H3

InChIKey

YJEMBVGYZLLAEY-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-piperidin-1-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.1783 Da
Monoisotopic Mass: 2.9
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	152.4
[M+Na]+	241.167518	155.1
[M-H]-	217.171024	157.4
[M+NH4]+	236.212123	169.1
[M+K]+	257.141458	153.0
[M+H-H2O]+	201.175560	143.4
[M+HCOO]-	263.176501	172.6
[M+CH3COO]-	277.192151	194.0
[M+Na-2H]-	239.152966	157.1
[M]+	218.17775142	148.1
[M]-	218.17884858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe