CID 10958018

156205-42-4

Structural Information

Molecular Formula
C14H21NO7
SMILES
CC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H21NO7/c1-7(16)20-11-4-5-15-6-10(19)13(21-8(2)17)14(12(11)15)22-9(3)18/h10-14,19H,4-6H2,1-3H3/t10-,11-,12+,13+,14+/m0/s1
InChIKey
NGSUJVDVFFKUMM-ODXJTPSBSA-N
Compound name
[(1S,6S,7R,8R,8aR)-7,8-diacetyloxy-6-hydroxy-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

315.1318 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13908 168.4
[M+Na]+ 338.12102 173.4
[M-H]- 314.12452 169.5
[M+NH4]+ 333.16562 183.7
[M+K]+ 354.09496 173.6
[M+H-H2O]+ 298.12906 162.9
[M+HCOO]- 360.13000 182.1
[M+CH3COO]- 374.14565 203.6
[M+Na-2H]- 336.10647 165.3
[M]+ 315.13125 170.2
[M]- 315.13235 170.2
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.