CID 44192644

2-methyl 5-cyclohexylpentanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CC(CCCC1CCCCC1)CO

InChI

InChI=1S/C12H24O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3

InChIKey

IDGMBCFBOMJIMX-UHFFFAOYSA-N

Compound name

5-cyclohexyl-2-methylpentan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 295
Patents: 184.18271 Da
Monoisotopic Mass: 4.5
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]+	185.189986	147.9
[M+Na]+	207.171928	150.2
[M-H]-	183.175434	148.4
[M+NH4]+	202.216533	166.7
[M+K]+	223.145868	148.3
[M+H-H2O]+	167.179970	142.0
[M+HCOO]-	229.180911	164.7
[M+CH3COO]-	243.196561	181.8
[M+Na-2H]-	205.157376	149.6
[M]+	184.18216142	143.4
[M]-	184.18325858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe