CID 3064320

Brn 0149266

Structural Information

Molecular Formula

C₁₇H₂₁N

SMILES

CC1CCCCN1CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H21N/c1-14-6-4-5-11-18(14)13-15-9-10-16-7-2-3-8-17(16)12-15/h2-3,7-10,12,14H,4-6,11,13H2,1H3

InChIKey

FGEGBLKWHBCTKS-UHFFFAOYSA-N

Compound name

2-methyl-1-(naphthalen-2-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.1674 Da
Monoisotopic Mass: 4.3
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]+	240.174676	156.9
[M+Na]+	262.156618	162.3
[M-H]-	238.160124	161.9
[M+NH4]+	257.201223	173.8
[M+K]+	278.130558	157.3
[M+H-H2O]+	222.164660	148.0
[M+HCOO]-	284.165601	174.3
[M+CH3COO]-	298.181251	167.7
[M+Na-2H]-	260.142066	161.9
[M]+	239.16685142	152.5
[M]-	239.16794858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe