CID 53829943

Refchem:493779

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

C1=CC(=C2C=CC=C(C2=C1)O)C=CC(=O)O

InChI

InChI=1S/C13H10O3/c14-12-6-2-4-10-9(7-8-13(15)16)3-1-5-11(10)12/h1-8,14H,(H,15,16)

InChIKey

GBTCVVDVYWKQQS-UHFFFAOYSA-N

Compound name

3-(5-hydroxynaphthalen-1-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.06299 Da
Monoisotopic Mass: 2.8
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]+	215.070266	144.2
[M+Na]+	237.052208	152.6
[M-H]-	213.055714	146.4
[M+NH4]+	232.096813	162.7
[M+K]+	253.026148	148.1
[M+H-H2O]+	197.060250	138.6
[M+HCOO]-	259.061191	164.4
[M+CH3COO]-	273.076841	182.7
[M+Na-2H]-	235.037656	150.1
[M]+	214.06244142	143.6
[M]-	214.06353858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe