CID 79900626

5-oxaspiro[3.5]nonan-8-ol

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CC2(C1)CC(CCO2)O

InChI

InChI=1S/C8H14O2/c9-7-2-5-10-8(6-7)3-1-4-8/h7,9H,1-6H2

InChIKey

JLPBRBGFJSBHSH-UHFFFAOYSA-N

Compound name

5-oxaspiro[3.5]nonan-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 142.09938 Da
Monoisotopic Mass: 0.7
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]+	143.10666	128.7
[M+Na]+	165.08860	134.7
[M+NH4]+	160.13320	135.4
[M+K]+	181.06254	129.8
[M-H]-	141.09210	129.5
[M+Na-2H]-	163.07405	132.5
[M]+	142.09883	128.6
[M]-	142.09993	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe