CID 14636219

131635-62-6

Structural Information

Molecular Formula
C8H14FNO3
SMILES
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)F
InChI
InChI=1S/C8H14FNO3/c9-4-3-10-2-1-5(11)6(10)8(13)7(4)12/h4-8,11-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
InChIKey
JOYRDAUHIQFEBO-TVNFTVLESA-N
Compound name
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09576 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10304 140.0
[M+Na]+ 214.08498 147.3
[M-H]- 190.08848 137.7
[M+NH4]+ 209.12958 159.5
[M+K]+ 230.05892 144.2
[M+H-H2O]+ 174.09302 134.5
[M+HCOO]- 236.09396 153.3
[M+CH3COO]- 250.10961 175.9
[M+Na-2H]- 212.07043 140.7
[M]+ 191.09521 133.0
[M]- 191.09631 133.0
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.