CID 15566992

2-oxaspiro[4.4]nonan-1-one

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CCC2(C1)CCOC2=O

InChI

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

InChIKey

PBZONIMHAVOWHW-UHFFFAOYSA-N

Compound name

2-oxaspiro[4.4]nonan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 140.08372 Da
Monoisotopic Mass: 1.6
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	129.1
[M+Na]+	163.07294	135.8
[M-H]-	139.07644	135.0
[M+NH4]+	158.11754	154.8
[M+K]+	179.04688	135.9
[M+H-H2O]+	123.08098	125.0
[M+HCOO]-	185.08192	150.8
[M+CH3COO]-	199.09757	168.9
[M+Na-2H]-	161.05839	134.0
[M]+	140.08317	125.6
[M]-	140.08427	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe