CID 46222385

501441-64-1

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

CC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C14H12O3/c1-9(15)10-7-8-13(14(16)17-2)12-6-4-3-5-11(10)12/h3-8H,1-2H3

InChIKey

SFXMQSPSAVKMTF-UHFFFAOYSA-N

Compound name

methyl 4-acetylnaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 228.07864 Da
Monoisotopic Mass: 2.7
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]+	229.08592	148.4
[M+Na]+	251.06786	162.2
[M+NH4]+	246.11246	156.7
[M+K]+	267.04180	155.8
[M-H]-	227.07136	150.6
[M+Na-2H]-	249.05331	154.9
[M]+	228.07809	151.0
[M]-	228.07919	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe