CID 130138943

2-oxaspiro[3.5]nonane-7-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2(CCC1C=O)COC2

InChI

InChI=1S/C9H14O2/c10-5-8-1-3-9(4-2-8)6-11-7-9/h5,8H,1-4,6-7H2

InChIKey

WKWIPEBABZZMGO-UHFFFAOYSA-N

Compound name

2-oxaspiro[3.5]nonane-7-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.09938 Da
Monoisotopic Mass: 0.6
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]+	155.10666	132.0
[M+Na]+	177.08860	138.4
[M+NH4]+	172.13320	138.6
[M+K]+	193.06254	132.9
[M-H]-	153.09210	133.1
[M+Na-2H]-	175.07405	136.0
[M]+	154.09883	132.0
[M]-	154.09993	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe