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

42
Patents

130.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 121.8
[M+Na]+ 153.05221 128.7
[M-H]- 129.05571 124.4
[M+NH4]+ 148.09681 144.0
[M+K]+ 169.02615 130.0
[M+H-H2O]+ 113.06025 118.2
[M+HCOO]- 175.06119 139.3
[M+CH3COO]- 189.07684 167.1
[M+Na-2H]- 151.03766 130.2
[M]+ 130.06244 120.5
[M]- 130.06354 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.