CID 82759

20691-53-6

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(C)(C)C1CCC(CC1)CO

InChI

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

InChIKey

GGWBQKOXLMPNMS-UHFFFAOYSA-N

Compound name

(4-tert-butylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 170.16707 Da
Monoisotopic Mass: 3.4
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	141.9
[M+Na]+	193.15629	146.5
[M-H]-	169.15979	143.4
[M+NH4]+	188.20089	162.0
[M+K]+	209.13023	144.9
[M+H-H2O]+	153.16433	137.3
[M+HCOO]-	215.16527	158.7
[M+CH3COO]-	229.18092	178.7
[M+Na-2H]-	191.14174	145.6
[M]+	170.16652	137.7
[M]-	170.16762	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe