CID 29082156

7606-37-3

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

C1C(CN1)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C13H13N/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-14-9-11/h1-7,11,14H,8-9H2

InChIKey

WKNNXJJYQUMULW-UHFFFAOYSA-N

Compound name

3-naphthalen-1-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.1048 Da
Monoisotopic Mass: 2.6
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]+	184.11208	135.2
[M+Na]+	206.09402	145.6
[M+NH4]+	201.13862	141.6
[M+K]+	222.06796	139.4
[M-H]-	182.09752	137.1
[M+Na-2H]-	204.07947	142.0
[M]+	183.10425	136.2
[M]-	183.10535	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.