CID 3784378

2017-68-7

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C1=CC=C2C=C(C=CC2=C1)CCN

InChI

InChI=1S/C12H13N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8,13H2

InChIKey

ZOBYXAWBGJRPRG-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 769
Patents: 171.1048 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]+	172.11208	136.0
[M+Na]+	194.09402	150.3
[M+NH4]+	189.13862	146.5
[M+K]+	210.06796	141.7
[M-H]-	170.09752	140.7
[M+Na-2H]-	192.07947	144.7
[M]+	171.10425	139.5
[M]-	171.10535	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe