CID 13988475

3,6-dioxabicyclo3.2.1octan-2-one, 1-hydroxy-, (1r)-

Structural Information

Molecular Formula
C6H8O4
SMILES
C1C2COC(=O)C1(CO2)O
InChI
InChI=1S/C6H8O4/c7-5-6(8)1-4(2-9-5)10-3-6/h4,8H,1-3H2
InChIKey
UQAWOOIZSRDPLA-UHFFFAOYSA-N
Compound name
1-hydroxy-3,6-dioxabicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

144.04225 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 122.8
[M+Na]+ 167.031468 130.9
[M-H]- 143.034974 125.8
[M+NH4]+ 162.076073 146.3
[M+K]+ 183.005408 132.2
[M+H-H2O]+ 127.039510 119.8
[M+HCOO]- 189.040451 140.6
[M+CH3COO]- 203.056101 168.0
[M+Na-2H]- 165.016916 132.6
[M]+ 144.04170142 122.7
[M]- 144.04279858 122.7
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