CID 92132149

18604-19-8

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OC[C@H]2[C@@H](O1)[C@@H]([C@@]3(O2)COC(O3)(C)C)O)C
InChI
InChI=1S/C12H20O6/c1-10(2)14-5-7-8(17-10)9(13)12(16-7)6-15-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12+/m0/s1
InChIKey
QJEJCBLGJUDCTN-KIKITERTSA-N
Compound name
(4R,4'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine]-7'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12598 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 151.0
[M+Na]+ 283.11520 159.6
[M-H]- 259.11870 159.3
[M+NH4]+ 278.15980 171.2
[M+K]+ 299.08914 163.5
[M+H-H2O]+ 243.12324 150.6
[M+HCOO]- 305.12418 163.1
[M+CH3COO]- 319.13983 164.3
[M+Na-2H]- 281.10065 158.8
[M]+ 260.12543 154.5
[M]- 260.12653 154.5
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.