CID 348912

4-ethyl-1-naphthoic acid

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

CCC1=CC=C(C2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)

InChIKey

PLFCGQDMWZGHOQ-UHFFFAOYSA-N

Compound name

4-ethylnaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 200.08372 Da
Monoisotopic Mass: 3.9
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]+	201.09100	142.2
[M+Na]+	223.07294	156.4
[M+NH4]+	218.11754	151.3
[M+K]+	239.04688	149.3
[M-H]-	199.07644	144.9
[M+Na-2H]-	221.05839	149.2
[M]+	200.08317	145.0
[M]-	200.08427	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe