CID 97545954

156205-46-8

Structural Information

Molecular Formula
C14H20FNO6
SMILES
CC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H]2CF)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H20FNO6/c1-7(17)20-11-4-5-16-10(6-15)13(21-8(2)18)14(12(11)16)22-9(3)19/h10-14H,4-6H2,1-3H3/t10-,11+,12-,13-,14-/m1/s1
InChIKey
UDKAGNJZWMQJQM-XVIXHAIJSA-N
Compound name
[(1S,5S,6R,7R,8R)-6,7-diacetyloxy-5-(fluoromethyl)-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

317.12747 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13475 170.3
[M+Na]+ 340.11669 176.7
[M-H]- 316.12019 172.0
[M+NH4]+ 335.16129 188.1
[M+K]+ 356.09063 176.5
[M+H-H2O]+ 300.12473 164.5
[M+HCOO]- 362.12567 186.5
[M+CH3COO]- 376.14132 205.9
[M+Na-2H]- 338.10214 165.5
[M]+ 317.12692 173.4
[M]- 317.12802 173.4
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.