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]+ 261.133256 151.0
[M+Na]+ 283.115198 159.6
[M-H]- 259.118704 159.3
[M+NH4]+ 278.159803 171.2
[M+K]+ 299.089138 163.5
[M+H-H2O]+ 243.123240 150.6
[M+HCOO]- 305.124181 163.1
[M+CH3COO]- 319.139831 164.3
[M+Na-2H]- 281.100646 158.8
[M]+ 260.12543142 154.5
[M]- 260.12652858 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.