CID 109368

68426-06-2

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CC(C)C(CCC1CCCCC1)O

InChI

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

InChIKey

LACJNCMNBFXHBY-UHFFFAOYSA-N

Compound name

1-cyclohexyl-4-methylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.18271 Da
Monoisotopic Mass: 4.4
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]+	185.18999	148.1
[M+Na]+	207.17193	150.2
[M-H]-	183.17543	148.7
[M+NH4]+	202.21653	166.9
[M+K]+	223.14587	148.8
[M+H-H2O]+	167.17997	142.4
[M+HCOO]-	229.18091	164.0
[M+CH3COO]-	243.19656	182.6
[M+Na-2H]-	205.15738	148.6
[M]+	184.18216	143.0
[M]-	184.18326	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe