CID 259760

2-cyclohexyl-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

C1CCC(CC1)C2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H16O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h4-5,8-11H,1-3,6-7H2

InChIKey

LBXMBBATNWKPGI-UHFFFAOYSA-N

Compound name

2-cyclohexylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 47
Patents: 240.11504 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]+	241.12232	154.2
[M+Na]+	263.10426	168.4
[M+NH4]+	258.14886	164.1
[M+K]+	279.07820	159.9
[M-H]-	239.10776	159.5
[M+Na-2H]-	261.08971	161.7
[M]+	240.11449	157.8
[M]-	240.11559	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe