CID 75913

2700-47-2

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC

InChI

InChI=1S/C14H14O2/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12/h4-9H,3H2,1-2H3

InChIKey

LWOTXBQKJLOAOZ-UHFFFAOYSA-N

Compound name

1-(6-methoxynaphthalen-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 179
Patents: 214.09938 Da
Monoisotopic Mass: 3.3
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]+	215.10666	146.2
[M+Na]+	237.08860	160.8
[M+NH4]+	232.13320	155.5
[M+K]+	253.06254	153.1
[M-H]-	213.09210	149.4
[M+Na-2H]-	235.07405	153.6
[M]+	214.09883	149.3
[M]-	214.09993	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe