CID 280989

65556-81-2

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OC2C(C(C3C(C2O1)OC(O3)(C)C)O)O)C
InChI
InChI=1S/C12H20O6/c1-11(2)15-7-5(13)6(14)8-10(9(7)17-11)18-12(3,4)16-8/h5-10,13-14H,1-4H3
InChIKey
ZQZGHZYIHMUHSI-UHFFFAOYSA-N
Compound name
4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

260.12598 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 153.2
[M+Na]+ 283.11520 161.2
[M+NH4]+ 278.15980 162.7
[M+K]+ 299.08914 159.9
[M-H]- 259.11870 157.3
[M+Na-2H]- 281.10065 152.3
[M]+ 260.12543 155.6
[M]- 260.12653 155.6
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

patents stripe