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: 1
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]+	171.137956	138.5
[M+Na]+	193.119898	141.8
[M-H]-	169.123404	142.1
[M+NH4]+	188.164503	158.6
[M+K]+	209.093838	141.4
[M+H-H2O]+	153.127940	132.8
[M+HCOO]-	215.128881	153.5
[M+CH3COO]-	229.144531	173.4
[M+Na-2H]-	191.105346	144.7
[M]+	170.13013142	130.2
[M]-	170.13122858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe