CID 10244345

20880-92-6

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C
InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
InChIKey
PSSHGMIAIUYOJF-XBWDGYHZSA-N
Compound name
[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

219
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 151.8
[M+Na]+ 283.11520 160.0
[M+NH4]+ 278.15980 162.8
[M+K]+ 299.08914 156.7
[M-H]- 259.11870 157.4
[M+Na-2H]- 281.10065 153.0
[M]+ 260.12543 154.9
[M]- 260.12653 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe