CID 1521748

3-(1-naphthyl)acrylic acid

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

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

InChI

InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+

InChIKey

WPXMLUUYWNHQOR-CMDGGOBGSA-N

Compound name

(E)-3-naphthalen-1-ylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 340
Patents: 198.06808 Da
Monoisotopic Mass: 3.1
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]+	199.075356	140.9
[M+Na]+	221.057298	148.9
[M-H]-	197.060804	144.2
[M+NH4]+	216.101903	160.6
[M+K]+	237.031238	144.7
[M+H-H2O]+	181.065340	135.1
[M+HCOO]-	243.066281	162.5
[M+CH3COO]-	257.081931	181.9
[M+Na-2H]-	219.042746	148.0
[M]+	198.06753142	140.3
[M]-	198.06862858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe