CID 91170

24344-21-6

Structural Information

Molecular Formula

C₁₈H₂₆O

SMILES

C1CCC(=CC1)C2CCCC(C2=O)C3=CCCCC3

InChI

InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,10,16-17H,1-7,9,11-13H2

InChIKey

UXCKNEGQGAKQLT-UHFFFAOYSA-N

Compound name

2,6-di(cyclohexen-1-yl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 258.19836 Da
Monoisotopic Mass: 4.5
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]+	259.205636	163.9
[M+Na]+	281.187578	164.9
[M-H]-	257.191084	171.1
[M+NH4]+	276.232183	179.6
[M+K]+	297.161518	160.7
[M+H-H2O]+	241.195620	155.2
[M+HCOO]-	303.196561	178.5
[M+CH3COO]-	317.212211	173.0
[M+Na-2H]-	279.173026	163.5
[M]+	258.19781142	153.0
[M]-	258.19890858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe