CID 275163

Dicyclohexyl-phenyl-methanol

Structural Information

Molecular Formula

C₁₉H₂₈O

SMILES

C1CCC(CC1)C(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H28O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18,20H,2-3,6-9,12-15H2

InChIKey

DHEFEZRVDYNNFC-UHFFFAOYSA-N

Compound name

dicyclohexyl(phenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 272.21402 Da
Monoisotopic Mass: 5.6
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	167.3
[M+Na]+	295.203238	166.7
[M-H]-	271.206744	172.8
[M+NH4]+	290.247843	181.3
[M+K]+	311.177178	162.3
[M+H-H2O]+	255.211280	159.0
[M+HCOO]-	317.212221	179.8
[M+CH3COO]-	331.227871	195.0
[M+Na-2H]-	293.188686	169.3
[M]+	272.21347142	155.9
[M]-	272.21456858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe