CID 16227396

177736-15-1

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CN

InChI

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

InChIKey

MCCAWZYURZFQOX-UHFFFAOYSA-N

Compound name

(6-methoxynaphthalen-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
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	139.0
[M+Na]+	210.08894	153.2
[M+NH4]+	205.13354	149.0
[M+K]+	226.06288	145.4
[M-H]-	186.09244	143.3
[M+Na-2H]-	208.07439	147.1
[M]+	187.09917	142.4
[M]-	187.10027	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe