CID 15689008

20009-28-3

Structural Information

Molecular Formula

C₁₃H₁₀O

SMILES

C#CCOC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H10O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10H,9H2

InChIKey

RACCOFGYHHVUQB-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 182.07317 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]+	183.08045	141.2
[M+Na]+	205.06239	155.9
[M+NH4]+	200.10699	147.6
[M+K]+	221.03633	144.3
[M-H]-	181.06589	136.8
[M+Na-2H]-	203.04784	146.5
[M]+	182.07262	141.4
[M]-	182.07372	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe