CID 243587

2-naphthyl propyl ether

Structural Information

Molecular Formula

C₁₃H₁₄O

SMILES

CCCOC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H14O/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10H,2,9H2,1H3

InChIKey

UEXFDEKTELCPNF-UHFFFAOYSA-N

Compound name

2-propoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 792
Patents: 186.10446 Da
Monoisotopic Mass: 4.4
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]+	187.111736	139.2
[M+Na]+	209.093678	147.3
[M-H]-	185.097184	143.7
[M+NH4]+	204.138283	160.3
[M+K]+	225.067618	144.2
[M+H-H2O]+	169.101720	133.0
[M+HCOO]-	231.102661	162.7
[M+CH3COO]-	245.118311	184.0
[M+Na-2H]-	207.079126	147.9
[M]+	186.10391142	141.1
[M]-	186.10500858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe