CID 14519851

118868-67-0

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CC=C2OCCN

InChI

InChI=1S/C12H13NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2

InChIKey

BRBZLKKWMHCRNZ-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yloxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 187.09972 Da
Monoisotopic Mass: 2.7
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]+	188.10700	138.7
[M+Na]+	210.08894	146.4
[M-H]-	186.09244	142.8
[M+NH4]+	205.13354	159.1
[M+K]+	226.06288	143.0
[M+H-H2O]+	170.09698	132.4
[M+HCOO]-	232.09792	162.9
[M+CH3COO]-	246.11357	185.1
[M+Na-2H]-	208.07439	147.3
[M]+	187.09917	138.6
[M]-	187.10027	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe