CID 71744025

7-oxaspiro[3.5]nonan-1-one

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC2(C1=O)CCOCC2

InChI

InChI=1S/C8H12O2/c9-7-1-2-8(7)3-5-10-6-4-8/h1-6H2

InChIKey

GYIZAYLNFPEFBJ-UHFFFAOYSA-N

Compound name

7-oxaspiro[3.5]nonan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 140.08372 Da
Monoisotopic Mass: 0.2
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]+	141.09100	127.5
[M+Na]+	163.07294	134.1
[M+NH4]+	158.11754	134.3
[M+K]+	179.04688	128.8
[M-H]-	139.07644	128.6
[M+Na-2H]-	161.05839	131.8
[M]+	140.08317	127.6
[M]-	140.08427	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe