CID 93516916

151377-80-9

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@@H](O2)CO)OC(O3)(C)C)C
InChI
InChI=1S/C12H20O6/c1-10(2)14-6-12(18-10)9-8(7(5-13)15-12)16-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3/t7-,8+,9+,12-/m0/s1
InChIKey
KKYWZUFDUCTWSE-HAYRHPOISA-N
Compound name
[(3'aR,4S,6'S,6'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methanol
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 150.2
[M+Na]+ 283.11520 159.4
[M-H]- 259.11870 158.7
[M+NH4]+ 278.15980 172.1
[M+K]+ 299.08914 162.8
[M+H-H2O]+ 243.12324 152.0
[M+HCOO]- 305.12418 164.3
[M+CH3COO]- 319.13983 164.1
[M+Na-2H]- 281.10065 157.0
[M]+ 260.12543 155.8
[M]- 260.12653 155.8
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.