CID 3664250

2-naphthyl acrylate

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C=CC(=O)OC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H10O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2

InChIKey

SLVJUZOHXPZVLR-UHFFFAOYSA-N

Compound name

naphthalen-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2327
Patents: 198.06808 Da
Monoisotopic Mass: 3.3
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]+	199.075356	140.4
[M+Na]+	221.057298	148.8
[M-H]-	197.060804	145.1
[M+NH4]+	216.101903	160.8
[M+K]+	237.031238	145.5
[M+H-H2O]+	181.065340	134.3
[M+HCOO]-	243.066281	163.5
[M+CH3COO]-	257.081931	184.5
[M+Na-2H]-	219.042746	147.9
[M]+	198.06753142	141.7
[M]-	198.06862858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe