CID 79302

5349-51-9

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCC(C)(C)C1CCC(CC1)O

InChI

InChI=1S/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3

InChIKey

VDQZABQVXYELSI-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 275
Patents: 170.16707 Da
Monoisotopic Mass: 3.6
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]+	171.17435	141.2
[M+Na]+	193.15629	151.2
[M+NH4]+	188.20089	149.9
[M+K]+	209.13023	145.4
[M-H]-	169.15979	142.5
[M+Na-2H]-	191.14174	145.5
[M]+	170.16652	142.9
[M]-	170.16762	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe