CID 18356807

Cyclohexanol, 4-(3-methylbutyl)-

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(C)CCC1CCC(CC1)O

InChI

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

InChIKey

QNRGJHPSMHZLCY-UHFFFAOYSA-N

Compound name

4-(3-methylbutyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 102
Patents: 170.16707 Da
Monoisotopic Mass: 3.5
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	142.6
[M+Na]+	193.15629	146.3
[M-H]-	169.15979	143.7
[M+NH4]+	188.20089	162.4
[M+K]+	209.13023	144.7
[M+H-H2O]+	153.16433	137.3
[M+HCOO]-	215.16527	159.8
[M+CH3COO]-	229.18092	179.8
[M+Na-2H]-	191.14174	144.2
[M]+	170.16652	138.2
[M]-	170.16762	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe