CID 80656

2-naphthyl laurate

Structural Information

Molecular Formula

C₂₂H₃₀O₂

SMILES

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

InChI

InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3

InChIKey

CIGGUBXZFFSTTA-UHFFFAOYSA-N

Compound name

naphthalen-2-yl dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 326.22458 Da
Monoisotopic Mass: 7.9
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]+	327.23186	183.4
[M+Na]+	349.21380	195.9
[M+NH4]+	344.25840	191.3
[M+K]+	365.18774	186.0
[M-H]-	325.21730	186.1
[M+Na-2H]-	347.19925	188.7
[M]+	326.22403	186.0
[M]-	326.22513	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe