CID 15091318

Spiro[3.5]nonan-7-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2(C1)CCC(=O)CC2

InChI

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

InChIKey

YNMVUESBVUUFDF-UHFFFAOYSA-N

Compound name

spiro[3.5]nonan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 138.10446 Da
Monoisotopic Mass: 1.9
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]+	139.111736	124.7
[M+Na]+	161.093678	129.6
[M-H]-	137.097184	130.0
[M+NH4]+	156.138283	142.1
[M+K]+	177.067618	131.2
[M+H-H2O]+	121.101720	115.5
[M+HCOO]-	183.102661	143.9
[M+CH3COO]-	197.118311	175.4
[M+Na-2H]-	159.079126	131.6
[M]+	138.10391142	128.1
[M]-	138.10500858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe