CID 26518192

10578-85-5

Structural Information

Molecular Formula
C12H20O7
SMILES
CC1(OC[C@H](O1)[C@@H]2C([C@@H]3[C@H](O2)OC(O3)(C)C)(O)O)C
InChI
InChI=1S/C12H20O7/c1-10(2)15-5-6(17-10)7-12(13,14)8-9(16-7)19-11(3,4)18-8/h6-9,13-14H,5H2,1-4H3/t6-,7+,8-,9+/m0/s1
InChIKey
BGNGIHFLGJGMFF-UYXSQOIJSA-N
Compound name
(3aR,5R,6aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1209 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12818 151.8
[M+Na]+ 299.11012 160.5
[M-H]- 275.11362 160.2
[M+NH4]+ 294.15472 172.0
[M+K]+ 315.08406 164.1
[M+H-H2O]+ 259.11816 154.1
[M+HCOO]- 321.11910 164.7
[M+CH3COO]- 335.13475 192.8
[M+Na-2H]- 297.09557 157.9
[M]+ 276.12035 157.0
[M]- 276.12145 157.0
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

No patent data available for this compound.