CID 22195

1-(methoxymethyl)naphthalene

Structural Information

Molecular Formula

C₁₂H₁₂O

SMILES

COCC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3

InChIKey

RRCDOVBQOMYGGJ-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 284
Patents: 172.08882 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]+	173.09610	134.9
[M+Na]+	195.07804	150.4
[M+NH4]+	190.12264	145.6
[M+K]+	211.05198	141.7
[M-H]-	171.08154	139.2
[M+Na-2H]-	193.06349	144.0
[M]+	172.08827	138.5
[M]-	172.08937	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe