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

41
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

literature stripe

Patent stripe

patents stripe