CID 277786

4653-13-8

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)O

InChI

InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)

InChIKey

YNEXYDHOGAIPHO-UHFFFAOYSA-N

Compound name

4-naphthalen-1-yl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 41
Patents: 228.07864 Da
Monoisotopic Mass: 2.3
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	149.3
[M+Na]+	251.06786	162.1
[M+NH4]+	246.11246	157.3
[M+K]+	267.04180	155.8
[M-H]-	227.07136	150.9
[M+Na-2H]-	249.05331	155.3
[M]+	228.07809	151.5
[M]-	228.07919	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe