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]+ 277.128176 151.8
[M+Na]+ 299.110118 160.5
[M-H]- 275.113624 160.2
[M+NH4]+ 294.154723 172.0
[M+K]+ 315.084058 164.1
[M+H-H2O]+ 259.118160 154.1
[M+HCOO]- 321.119101 164.7
[M+CH3COO]- 335.134751 192.8
[M+Na-2H]- 297.095566 157.9
[M]+ 276.12035142 157.0
[M]- 276.12144858 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.