CID 60818

Seprilose

Structural Information

Molecular Formula
C16H30O6
SMILES
CCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CO)O)OC(O2)(C)C
InChI
InChI=1S/C16H30O6/c1-4-5-6-7-8-9-19-13-12(11(18)10-17)20-15-14(13)21-16(2,3)22-15/h11-15,17-18H,4-10H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey
GWSUUEYOBZZHIJ-UXXRCYHCSA-N
Compound name
(1R)-1-[(3aR,5R,6S,6aR)-6-heptoxy-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
1
Annotation Hits

0
References

262
Patents

318.20422 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21150 175.0
[M+Na]+ 341.19344 180.6
[M+NH4]+ 336.23804 181.3
[M+K]+ 357.16738 180.2
[M-H]- 317.19694 176.5
[M+Na-2H]- 339.17889 172.4
[M]+ 318.20367 175.9
[M]- 318.20477 175.9
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