CID 97545961

156205-64-0

Structural Information

Molecular Formula
C14H21NO7
SMILES
CC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H]2CO)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H21NO7/c1-7(17)20-11-4-5-15-10(6-16)13(21-8(2)18)14(12(11)15)22-9(3)19/h10-14,16H,4-6H2,1-3H3/t10-,11+,12-,13-,14-/m1/s1
InChIKey
PDAZDJMOZYSQHE-XVIXHAIJSA-N
Compound name
[(1S,5R,6R,7R,8R)-6,7-diacetyloxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-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 170.2
[M+Na]+ 338.12102 175.9
[M-H]- 314.12452 171.9
[M+NH4]+ 333.16562 187.4
[M+K]+ 354.09496 176.1
[M+H-H2O]+ 298.12906 165.6
[M+HCOO]- 360.13000 186.1
[M+CH3COO]- 374.14565 203.1
[M+Na-2H]- 336.10647 165.8
[M]+ 315.13125 174.0
[M]- 315.13235 174.0
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.