CID 106739

67634-11-1

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC1CCC(C(C1)C(C)(C)C)O

InChI

InChI=1S/C11H22O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3

InChIKey

OOPHUQPRWUXYDI-UHFFFAOYSA-N

Compound name

2-tert-butyl-4-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 445
Patents: 170.16707 Da
Monoisotopic Mass: 3.2
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]+	171.174346	141.0
[M+Na]+	193.156288	146.5
[M-H]-	169.159794	142.9
[M+NH4]+	188.200893	161.5
[M+K]+	209.130228	145.0
[M+H-H2O]+	153.164330	136.7
[M+HCOO]-	215.165271	157.8
[M+CH3COO]-	229.180921	179.8
[M+Na-2H]-	191.141736	144.1
[M]+	170.16652142	137.2
[M]-	170.16761858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe