CID 816856

887572-51-2

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

COC(=O)C#CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H10O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10H,1H3

InChIKey

RSDUVDKHUSYMJW-UHFFFAOYSA-N

Compound name

methyl 3-naphthalen-2-ylprop-2-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.06808 Da
Monoisotopic Mass: 3.6
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]+	211.075356	150.0
[M+Na]+	233.057298	161.1
[M-H]-	209.060804	152.8
[M+NH4]+	228.101903	167.7
[M+K]+	249.031238	154.6
[M+H-H2O]+	193.065340	138.0
[M+HCOO]-	255.066281	166.8
[M+CH3COO]-	269.081931	193.0
[M+Na-2H]-	231.042746	155.3
[M]+	210.06753142	145.8
[M]-	210.06862858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.