CID 3022567

2,6-dicyclohexyl-m-cresol

Structural Information

Molecular Formula

C₁₉H₂₈O

SMILES

CC1=C(C(=C(C=C1)C2CCCCC2)O)C3CCCCC3

InChI

InChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3

InChIKey

MNMFNWIRHMYXIX-UHFFFAOYSA-N

Compound name

2,6-dicyclohexyl-3-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 272.21402 Da
Monoisotopic Mass: 7.0
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]+	273.221296	168.0
[M+Na]+	295.203238	169.9
[M-H]-	271.206744	174.5
[M+NH4]+	290.247843	183.0
[M+K]+	311.177178	165.1
[M+H-H2O]+	255.211280	159.7
[M+HCOO]-	317.212221	182.0
[M+CH3COO]-	331.227871	176.9
[M+Na-2H]-	293.188686	167.1
[M]+	272.21347142	158.2
[M]-	272.21456858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe