CID 474445

52882-07-2

Structural Information

Molecular Formula
C7H12O6
SMILES
C1C2(O1)[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O
InChI
InChI=1S/C7H12O6/c8-2-3(9)5(11)7(1-13-7)6(12)4(2)10/h2-6,8-12H,1H2/t2?,3-,4-,5-,6+,7?/m1/s1
InChIKey
AWCFPDQAULWFNH-CEDNOLFGSA-N
Compound name
(4S,5R,7R,8R)-1-oxaspiro[2.5]octane-4,5,6,7,8-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06339 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07067 134.7
[M+Na]+ 215.05261 144.6
[M-H]- 191.05611 136.5
[M+NH4]+ 210.09721 147.9
[M+K]+ 231.02655 142.4
[M+H-H2O]+ 175.06065 131.6
[M+HCOO]- 237.06159 148.0
[M+CH3COO]- 251.07724 174.5
[M+Na-2H]- 213.03806 139.9
[M]+ 192.06284 134.8
[M]- 192.06394 134.8
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.