CID 2760159

226931-47-1

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

COC(=O)CC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H12O3/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3

InChIKey

XCZRXPQKBYZZEY-UHFFFAOYSA-N

Compound name

methyl 3-naphthalen-1-yl-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 228.07864 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]+	229.08592	148.9
[M+Na]+	251.06786	162.2
[M+NH4]+	246.11246	157.2
[M+K]+	267.04180	155.6
[M-H]-	227.07136	151.0
[M+Na-2H]-	249.05331	155.5
[M]+	228.07809	151.3
[M]-	228.07919	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe