CID 4144247

62106-65-4

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(C)CC(=O)C1CCCCC1

InChI

InChI=1S/C11H20O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

InChIKey

NQUJMAMSZWHAIC-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-methylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 168.15141 Da
Monoisotopic Mass: 3.3
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]+	169.15869	141.2
[M+Na]+	191.14063	151.0
[M+NH4]+	186.18523	149.9
[M+K]+	207.11457	145.0
[M-H]-	167.14413	142.9
[M+Na-2H]-	189.12608	145.5
[M]+	168.15086	142.9
[M]-	168.15196	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe