CID 549469

4451-30-3

Structural Information

Molecular Formula
C6H8O4
SMILES
C1C2C3C(O1)C(C(O2)O3)O
InChI
InChI=1S/C6H8O4/c7-3-5-4-2(1-8-5)9-6(3)10-4/h2-7H,1H2
InChIKey
XOTJGHCMZOLIPX-UHFFFAOYSA-N
Compound name
2,5,8-trioxatricyclo[4.2.1.03,7]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.04225 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 122.3
[M+Na]+ 167.03147 130.5
[M+NH4]+ 162.07607 131.5
[M+K]+ 183.00541 133.6
[M-H]- 143.03497 124.8
[M+Na-2H]- 165.01692 119.9
[M]+ 144.04170 123.9
[M]- 144.04280 123.9
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