CID 10881451

63593-03-3

Structural Information

Molecular Formula
C16H22O6
SMILES
CC1(O[C@@H]2[C@@H](C(O[C@@H]2O1)(CO)CO)OCC3=CC=CC=C3)C
InChI
InChI=1S/C16H22O6/c1-15(2)20-12-13(19-8-11-6-4-3-5-7-11)16(9-17,10-18)22-14(12)21-15/h3-7,12-14,17-18H,8-10H2,1-2H3/t12-,13+,14+/m1/s1
InChIKey
QVXXTLFHRGMIHD-RDBSUJKOSA-N
Compound name
[(3aR,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

310.14163 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14891 166.7
[M+Na]+ 333.13085 175.7
[M+NH4]+ 328.17545 175.8
[M+K]+ 349.10479 172.5
[M-H]- 309.13435 171.4
[M+Na-2H]- 331.11630 170.2
[M]+ 310.14108 169.4
[M]- 310.14218 169.4
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