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]+ 261.133256 150.2
[M+Na]+ 283.115198 159.4
[M-H]- 259.118704 158.7
[M+NH4]+ 278.159803 172.1
[M+K]+ 299.089138 162.8
[M+H-H2O]+ 243.123240 152.0
[M+HCOO]- 305.124181 164.3
[M+CH3COO]- 319.139831 164.1
[M+Na-2H]- 281.100646 157.0
[M]+ 260.12543142 155.8
[M]- 260.12652858 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.