CID 165990537

3-oxaspiro[5.5]undecan-9-ol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CC2(CCC1O)CCOCC2

InChI

InChI=1S/C10H18O2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9,11H,1-8H2

InChIKey

CYHXPBHAQBSNDA-UHFFFAOYSA-N

Compound name

3-oxaspiro[5.5]undecan-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 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]+	171.13796	138.5
[M+Na]+	193.11990	141.8
[M-H]-	169.12340	142.1
[M+NH4]+	188.16450	158.6
[M+K]+	209.09384	141.4
[M+H-H2O]+	153.12794	132.8
[M+HCOO]-	215.12888	153.5
[M+CH3COO]-	229.14453	173.4
[M+Na-2H]-	191.10535	144.7
[M]+	170.13013	130.2
[M]-	170.13123	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.