CID 3085659

2-cyclohexyl-4-tert-amylphenol

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CCC(C)(C)C1=CC(=C(C=C1)O)C2CCCCC2

InChI

InChI=1S/C17H26O/c1-4-17(2,3)14-10-11-16(18)15(12-14)13-8-6-5-7-9-13/h10-13,18H,4-9H2,1-3H3

InChIKey

ULWIPPTYIDIZOB-UHFFFAOYSA-N

Compound name

2-cyclohexyl-4-(2-methylbutan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.19836 Da
Monoisotopic Mass: 6.3
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]+	247.205636	160.7
[M+Na]+	269.187578	164.9
[M-H]-	245.191084	165.1
[M+NH4]+	264.232183	177.5
[M+K]+	285.161518	161.1
[M+H-H2O]+	229.195620	154.2
[M+HCOO]-	291.196561	176.9
[M+CH3COO]-	305.212211	194.2
[M+Na-2H]-	267.173026	163.1
[M]+	246.19781142	156.5
[M]-	246.19890858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe