CID 549163

Spiro[4.4]nonan-2-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC2(C1)CCC(=O)C2

InChI

InChI=1S/C9H14O/c10-8-3-6-9(7-8)4-1-2-5-9/h1-7H2

InChIKey

APNPZXFYPYMTJD-UHFFFAOYSA-N

Compound name

spiro[4.4]nonan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 138.10446 Da
Monoisotopic Mass: 2.1
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	132.9
[M+Na]+	161.09368	141.7
[M+NH4]+	156.13828	144.1
[M+K]+	177.06762	137.0
[M-H]-	137.09718	135.2
[M+Na-2H]-	159.07913	138.5
[M]+	138.10391	134.7
[M]-	138.10501	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe