CID 20556960

15806-45-8

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

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

InChI

InChI=1S/C19H24O2/c1-2-3-4-5-6-7-12-19(20)21-18-14-13-16-10-8-9-11-17(16)15-18/h8-11,13-15H,2-7,12H2,1H3

InChIKey

MKROVNPMTNPUNZ-UHFFFAOYSA-N

Compound name

naphthalen-2-yl nonanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 284.17764 Da
Monoisotopic Mass: 6.3
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]+	285.18492	170.4
[M+Na]+	307.16686	175.8
[M-H]-	283.17036	173.7
[M+NH4]+	302.21146	187.2
[M+K]+	323.14080	171.6
[M+H-H2O]+	267.17490	162.8
[M+HCOO]-	329.17584	191.0
[M+CH3COO]-	343.19149	203.3
[M+Na-2H]-	305.15231	174.4
[M]+	284.17709	174.3
[M]-	284.17819	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe