CID 2782298

163119-16-2

Structural Information

Molecular Formula

C₁₅H₃₀O

SMILES

CC1CC(C(C(C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3

InChIKey

OIXQKWDQCODZGF-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 452
Patents: 226.22966 Da
Monoisotopic Mass: 4.9
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]+	227.236936	156.8
[M+Na]+	249.218878	162.1
[M-H]-	225.222384	158.7
[M+NH4]+	244.263483	175.5
[M+K]+	265.192818	160.1
[M+H-H2O]+	209.226920	152.8
[M+HCOO]-	271.227861	170.7
[M+CH3COO]-	285.243511	193.1
[M+Na-2H]-	247.204326	158.3
[M]+	226.22911142	154.3
[M]-	226.23020858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe