CID 10594492

156257-97-5

Structural Information

Molecular Formula
C16H23NO8
SMILES
CC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@H]([C@@H](C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23NO8/c1-8(18)22-12-5-6-17-7-13(23-9(2)19)15(24-10(3)20)16(14(12)17)25-11(4)21/h12-16H,5-7H2,1-4H3/t12-,13+,14+,15-,16+/m0/s1
InChIKey
VPQZMIYHYVIVPB-CQJMVSDSSA-N
Compound name
[(1S,6R,7S,8R,8aR)-6,7,8-triacetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14236 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14964 178.5
[M+Na]+ 380.13158 183.3
[M+NH4]+ 375.17618 181.2
[M+K]+ 396.10552 184.8
[M-H]- 356.13508 174.5
[M+Na-2H]- 378.11703 175.0
[M]+ 357.14181 177.1
[M]- 357.14291 177.1
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

No patent data available for this compound.