CID 64720560

4-cyclohexylpentan-2-ol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(CC(C)O)C1CCCCC1

InChI

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

InChIKey

LCWBIZXOSALLGR-UHFFFAOYSA-N

Compound name

4-cyclohexylpentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.16707 Da
Monoisotopic Mass: 3.9
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	143.5
[M+Na]+	193.15629	146.0
[M-H]-	169.15979	144.3
[M+NH4]+	188.20089	162.9
[M+K]+	209.13023	144.8
[M+H-H2O]+	153.16433	138.0
[M+HCOO]-	215.16527	159.7
[M+CH3COO]-	229.18092	179.6
[M+Na-2H]-	191.14174	144.5
[M]+	170.16652	138.0
[M]-	170.16762	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.