CID 12578363

23735-46-8

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=O)C1CC2CCC1CC2

InChI

InChI=1S/C10H16O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h8-10H,2-6H2,1H3

InChIKey

UWZJCLRMLYBUSN-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.2]octanyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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]+	153.127396	133.6
[M+Na]+	175.109338	137.2
[M-H]-	151.112844	130.3
[M+NH4]+	170.153943	159.0
[M+K]+	191.083278	135.4
[M+H-H2O]+	135.117380	129.6
[M+HCOO]-	197.118321	144.7
[M+CH3COO]-	211.133971	144.5
[M+Na-2H]-	173.094786	143.1
[M]+	152.11957142	133.0
[M]-	152.12066858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe