CID 15183708

Chembl352019

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

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

InChI

InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,15H,(H,17,18)/b12-8-

InChIKey

DUPQTGIRNJESKN-WQLSENKSSA-N

Compound name

(Z)-4-hydroxy-4-naphthalen-2-yl-2-oxobut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 242.0579 Da
Monoisotopic Mass: 3.0
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]+	243.06518	151.0
[M+Na]+	265.04712	157.5
[M-H]-	241.05062	152.7
[M+NH4]+	260.09172	167.6
[M+K]+	281.02106	153.9
[M+H-H2O]+	225.05516	145.0
[M+HCOO]-	287.05610	169.1
[M+CH3COO]-	301.07175	187.8
[M+Na-2H]-	263.03257	154.6
[M]+	242.05735	149.8
[M]-	242.05845	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe