CID 12447405

Bicyclo[4.3.1]decan-8-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1CCC2CC(C1)CC(=O)C2

InChI

InChI=1S/C10H16O/c11-10-6-8-3-1-2-4-9(5-8)7-10/h8-9H,1-7H2

InChIKey

QEFLRRDCPNUYBA-UHFFFAOYSA-N

Compound name

bicyclo[4.3.1]decan-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 152.12012 Da
Monoisotopic Mass: 2.7
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]+	153.12740	128.5
[M+Na]+	175.10934	131.9
[M-H]-	151.11284	131.7
[M+NH4]+	170.15394	149.7
[M+K]+	191.08328	133.3
[M+H-H2O]+	135.11738	124.9
[M+HCOO]-	197.11832	145.2
[M+CH3COO]-	211.13397	179.1
[M+Na-2H]-	173.09479	134.6
[M]+	152.11957	120.6
[M]-	152.12067	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe