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

2
Annotation Hits: 0
References: 101
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	141.7
[M+Na]+	193.15629	151.6
[M+NH4]+	188.20089	150.4
[M+K]+	209.13023	145.4
[M-H]-	169.15979	143.4
[M+Na-2H]-	191.14174	145.6
[M]+	170.16652	143.4
[M]-	170.16762	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe