CID 161973

Dodecylnaphthalene

Structural Information

Molecular Formula

C₂₂H₃₂

SMILES

CCCCCCCCCCCCC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3

InChIKey

UVMGANPLBFFQIO-UHFFFAOYSA-N

Compound name

1-dodecylnaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1613
Patents: 296.2504 Da
Monoisotopic Mass: 9.8
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]+	297.25768	177.9
[M+Na]+	319.23962	182.0
[M-H]-	295.24312	180.5
[M+NH4]+	314.28422	194.4
[M+K]+	335.21356	176.0
[M+H-H2O]+	279.24766	169.9
[M+HCOO]-	341.24860	197.9
[M+CH3COO]-	355.26425	209.1
[M+Na-2H]-	317.22507	181.4
[M]+	296.24985	181.4
[M]-	296.25095	181.4

Literature stripe

literature stripe

Patent stripe

patents stripe