CID 603535

2-methoxy-6-vinylnaphthalene

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

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

InChI

InChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3

InChIKey

DGQUMYDUFBBKPK-UHFFFAOYSA-N

Compound name

2-ethenyl-6-methoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 496
Patents: 184.08882 Da
Monoisotopic Mass: 3.9
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]+	185.09610	138.3
[M+Na]+	207.07804	154.0
[M+NH4]+	202.12264	148.5
[M+K]+	223.05198	145.2
[M-H]-	183.08154	142.3
[M+Na-2H]-	205.06349	146.8
[M]+	184.08827	141.9
[M]-	184.08937	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe