CID 131402434

{2-oxaspiro[4.4]nonan-3-yl}methanol

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C1CCC2(C1)CC(OC2)CO

InChI

InChI=1S/C9H16O2/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8,10H,1-7H2

InChIKey

XDXPWCOLRNYNOS-UHFFFAOYSA-N

Compound name

2-oxaspiro[4.4]nonan-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.11504 Da
Monoisotopic Mass: 1.3
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]+	157.12232	135.2
[M+Na]+	179.10426	143.4
[M+NH4]+	174.14886	145.7
[M+K]+	195.07820	140.0
[M-H]-	155.10776	138.0
[M+Na-2H]-	177.08971	139.5
[M]+	156.11449	137.0
[M]-	156.11559	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe