CID 27941

16587-71-6

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCC(C)(C)C1CCC(=O)CC1

InChI

InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

InChIKey

DCSKAMGZSIRJAQ-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3979
Patents: 168.15141 Da
Monoisotopic Mass: 2.9
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]+	169.15869	140.1
[M+Na]+	191.14063	150.7
[M+NH4]+	186.18523	148.9
[M+K]+	207.11457	144.5
[M-H]-	167.14413	141.7
[M+Na-2H]-	189.12608	144.9
[M]+	168.15086	142.0
[M]-	168.15196	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe