CID 87704

18549-40-1

Structural Information

Molecular Formula
C9H16O6
SMILES
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)O)C
InChI
InChI=1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1
InChIKey
BGGCXQKYCBBHAH-OZRXBMAMSA-N
Compound name
(1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

319
Patents

220.09468 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10196 144.6
[M+Na]+ 243.08390 151.1
[M+NH4]+ 238.12850 151.7
[M+K]+ 259.05784 152.7
[M-H]- 219.08740 145.9
[M+Na-2H]- 241.06935 143.2
[M]+ 220.09413 145.6
[M]- 220.09523 145.6
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