CID 167722895

(3s,5s)-3-amino-5-fluoropiperidin-2-one hydrochloride

Structural Information

Molecular Formula
C5H9FN2O
SMILES
C1[C@@H](CNC(=O)[C@H]1N)F
InChI
InChI=1S/C5H9FN2O/c6-3-1-4(7)5(9)8-2-3/h3-4H,1-2,7H2,(H,8,9)/t3-,4-/m0/s1
InChIKey
IKKJQLHHOFDIIQ-IMJSIDKUSA-N
Compound name
(3S,5S)-3-amino-5-fluoropiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06989 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07717 125.2
[M+Na]+ 155.05911 132.2
[M-H]- 131.06261 124.2
[M+NH4]+ 150.10371 144.7
[M+K]+ 171.03305 129.9
[M+H-H2O]+ 115.06715 118.7
[M+HCOO]- 177.06809 143.6
[M+CH3COO]- 191.08374 170.6
[M+Na-2H]- 153.04456 129.2
[M]+ 132.06934 116.5
[M]- 132.07044 116.5
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.