CID 10987498

4-(4-ethylcyclohexyl)cyclohexanone

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CCC1CCC(CC1)C2CCC(=O)CC2

InChI

InChI=1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3

InChIKey

ICCIOWLZPJIEBA-UHFFFAOYSA-N

Compound name

4-(4-ethylcyclohexyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 208.18271 Da
Monoisotopic Mass: 4.2
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]+	209.18999	151.3
[M+Na]+	231.17193	153.8
[M-H]-	207.17543	156.2
[M+NH4]+	226.21653	169.7
[M+K]+	247.14587	151.2
[M+H-H2O]+	191.17997	144.4
[M+HCOO]-	253.18091	167.3
[M+CH3COO]-	267.19656	187.7
[M+Na-2H]-	229.15738	151.8
[M]+	208.18216	143.2
[M]-	208.18326	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe