CID 59139

4-methoxynaphthalen-1-ylmethylamine

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

COC1=CC=C(C2=CC=CC=C21)CN

InChI

InChI=1S/C12H13NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,8,13H2,1H3

InChIKey

IVBVTJRJXOWINB-UHFFFAOYSA-N

Compound name

(4-methoxynaphthalen-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 28
Patents: 187.09972 Da
Monoisotopic Mass: 2.0
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	138.8
[M+Na]+	210.08894	147.5
[M-H]-	186.09244	143.3
[M+NH4]+	205.13354	159.6
[M+K]+	226.06288	144.2
[M+H-H2O]+	170.09698	132.7
[M+HCOO]-	232.09792	163.0
[M+CH3COO]-	246.11357	186.3
[M+Na-2H]-	208.07439	146.7
[M]+	187.09917	139.1
[M]-	187.10027	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe