CID 54594855

3-ethoxyspiro[3.4]octan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCOC1CC(C12CCCC2)O

InChI

InChI=1S/C10H18O2/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9,11H,2-7H2,1H3

InChIKey

PZDYNJLDLWZXEQ-UHFFFAOYSA-N

Compound name

3-ethoxyspiro[3.4]octan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 1.7
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]+	171.137956	134.8
[M+Na]+	193.119898	139.9
[M-H]-	169.123404	139.0
[M+NH4]+	188.164503	152.3
[M+K]+	209.093838	141.0
[M+H-H2O]+	153.127940	126.3
[M+HCOO]-	215.128881	154.1
[M+CH3COO]-	229.144531	179.3
[M+Na-2H]-	191.105346	138.7
[M]+	170.13013142	141.2
[M]-	170.13122858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.