CID 11805458

2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C1CC2(CCC1CCO)OCCO2

InChI

InChI=1S/C10H18O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9,11H,1-8H2

InChIKey

TXUGEISFHODXQL-UHFFFAOYSA-N

Compound name

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 186.1256 Da
Monoisotopic Mass: 0.8
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]+	187.132876	141.2
[M+Na]+	209.114818	145.6
[M-H]-	185.118324	145.7
[M+NH4]+	204.159423	161.3
[M+K]+	225.088758	146.3
[M+H-H2O]+	169.122860	136.4
[M+HCOO]-	231.123801	157.7
[M+CH3COO]-	245.139451	175.2
[M+Na-2H]-	207.100266	147.1
[M]+	186.12505142	137.2
[M]-	186.12614858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe