CID 64982205

Cyclobutyl(cyclohexyl)methanone

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

C1CCC(CC1)C(=O)C2CCC2

InChI

InChI=1S/C11H18O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h9-10H,1-8H2

InChIKey

GEDPELRWZGAMNG-UHFFFAOYSA-N

Compound name

cyclobutyl(cyclohexyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.13577 Da
Monoisotopic Mass: 3.0
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]+	167.14305	134.4
[M+Na]+	189.12499	136.4
[M-H]-	165.12849	139.6
[M+NH4]+	184.16959	147.8
[M+K]+	205.09893	138.2
[M+H-H2O]+	149.13303	123.3
[M+HCOO]-	211.13397	151.8
[M+CH3COO]-	225.14962	182.2
[M+Na-2H]-	187.11044	137.3
[M]+	166.13522	136.7
[M]-	166.13632	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe