CID 58227859

Spiro[3.5]nonan-2-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC2(CC1)CC(=O)C2

InChI

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

InChIKey

NRNKZKFTQBNHBT-UHFFFAOYSA-N

Compound name

spiro[3.5]nonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 138.10446 Da
Monoisotopic Mass: 2.3
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	129.7
[M+Na]+	161.09368	136.3
[M+NH4]+	156.13828	137.0
[M+K]+	177.06762	129.9
[M-H]-	137.09718	130.1
[M+Na-2H]-	159.07913	134.6
[M]+	138.10391	129.6
[M]-	138.10501	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe