CID 53829943

Schembl8746649

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]+	215.07027	145.3
[M+Na]+	237.05221	158.5
[M+NH4]+	232.09681	153.1
[M+K]+	253.02615	152.1
[M-H]-	213.05571	146.7
[M+Na-2H]-	235.03766	151.0
[M]+	214.06244	147.4
[M]-	214.06354	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe