CID 86638

Bicyclo[3.3.1]nonan-9-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2CCCC(C1)C2=O

InChI

InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2

InChIKey

SKTMMSQPXGWCAP-UHFFFAOYSA-N

Compound name

bicyclo[3.3.1]nonan-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 287
Patents: 138.10446 Da
Monoisotopic Mass: 2.0
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]+	139.11174	128.7
[M+Na]+	161.09368	140.0
[M+NH4]+	156.13828	139.3
[M+K]+	177.06762	132.8
[M-H]-	137.09718	130.9
[M+Na-2H]-	159.07913	132.7
[M]+	138.10391	130.8
[M]-	138.10501	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe