CID 130151914

3-oxatricyclo[3.2.1.0,2,4]octane-6,7-diol

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C2C(C(C1C3C2O3)O)O
InChI
InChI=1S/C7H10O3/c8-4-2-1-3(5(4)9)7-6(2)10-7/h2-9H,1H2
InChIKey
LVZZYSCVBIZYIJ-UHFFFAOYSA-N
Compound name
3-oxatricyclo[3.2.1.02,4]octane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 124.5
[M+Na]+ 165.05221 136.1
[M-H]- 141.05571 128.0
[M+NH4]+ 160.09681 145.1
[M+K]+ 181.02615 132.8
[M+H-H2O]+ 125.06025 122.0
[M+HCOO]- 187.06119 142.0
[M+CH3COO]- 201.07684 138.7
[M+Na-2H]- 163.03766 130.4
[M]+ 142.06244 128.0
[M]- 142.06354 128.0
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

patents stripe