CID 21328145

3-acetoxy-1-naphthoic acid

Structural Information

Molecular Formula

C₁₃H₁₀O₄

SMILES

CC(=O)OC1=CC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C13H10O4/c1-8(14)17-10-6-9-4-2-3-5-11(9)12(7-10)13(15)16/h2-7H,1H3,(H,15,16)

InChIKey

SVOYOZGWLQVRSK-UHFFFAOYSA-N

Compound name

3-acetyloxynaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 230.0579 Da
Monoisotopic Mass: 2.5
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]+	231.06518	147.5
[M+Na]+	253.04712	160.5
[M+NH4]+	248.09172	155.1
[M+K]+	269.02106	155.2
[M-H]-	229.05062	148.7
[M+Na-2H]-	251.03257	153.1
[M]+	230.05735	149.6
[M]-	230.05845	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe