CID 246922

Refchem:453800

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCC(CC)CC1CCCCC1O

InChI

InChI=1S/C12H24O/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h10-13H,3-9H2,1-2H3

InChIKey

DNPIKQAQDBSXHV-UHFFFAOYSA-N

Compound name

2-(2-ethylbutyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.18271 Da
Monoisotopic Mass: 4.0
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	147.2
[M+Na]+	207.171928	150.4
[M-H]-	183.175434	148.1
[M+NH4]+	202.216533	166.4
[M+K]+	223.145868	148.6
[M+H-H2O]+	167.179970	141.7
[M+HCOO]-	229.180911	164.1
[M+CH3COO]-	243.196561	182.9
[M+Na-2H]-	205.157376	148.3
[M]+	184.18216142	143.1
[M]-	184.18325858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe