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 176.6
[M+Na]+ 380.13158 181.1
[M-H]- 356.13508 178.9
[M+NH4]+ 375.17618 190.7
[M+K]+ 396.10552 182.3
[M+H-H2O]+ 340.13962 170.9
[M+HCOO]- 402.14056 190.6
[M+CH3COO]- 416.15621 213.6
[M+Na-2H]- 378.11703 172.4
[M]+ 357.14181 181.1
[M]- 357.14291 181.1
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.