CID 534520

6,8-dioxabicyclo[3.2.1]octan-4-ol

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC(C2OCC1O2)O

InChI

InChI=1S/C6H10O3/c7-5-2-1-4-3-8-6(5)9-4/h4-7H,1-3H2

InChIKey

IJPZEVCAPJUVHC-UHFFFAOYSA-N

Compound name

6,8-dioxabicyclo[3.2.1]octan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 130.06299 Da
Monoisotopic Mass: -0.2
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]+	131.07027	122.6
[M+Na]+	153.05221	132.5
[M+NH4]+	148.09681	131.9
[M+K]+	169.02615	130.2
[M-H]-	129.05571	125.3
[M+Na-2H]-	151.03766	123.9
[M]+	130.06244	124.5
[M]-	130.06354	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe