CID 2760160

158053-33-9

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

COC(=O)CC(=O)C1=CC2=CC=CC=C2C=C1

InChI

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

InChIKey

GSGIHNDYVVJGHS-UHFFFAOYSA-N

Compound name

methyl 3-naphthalen-2-yl-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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]+	229.085916	148.5
[M+Na]+	251.067858	156.1
[M-H]-	227.071364	153.1
[M+NH4]+	246.112463	167.5
[M+K]+	267.041798	153.6
[M+H-H2O]+	211.075900	142.1
[M+HCOO]-	273.076841	170.4
[M+CH3COO]-	287.092491	190.4
[M+Na-2H]-	249.053306	154.3
[M]+	228.07809142	151.0
[M]-	228.07918858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe