CID 71720812

(3r,4s)-3,4-dihydroxypiperidin-2-one

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1CNC(=O)[C@@H]([C@H]1O)O
InChI
InChI=1S/C5H9NO3/c7-3-1-2-6-5(9)4(3)8/h3-4,7-8H,1-2H2,(H,6,9)/t3-,4+/m0/s1
InChIKey
HVIVBJVEAQHMTG-IUYQGCFVSA-N
Compound name
(3R,4S)-3,4-dihydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

131.05824 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.6
[M+Na]+ 154.047458 132.4
[M-H]- 130.050964 123.7
[M+NH4]+ 149.092063 144.2
[M+K]+ 170.021398 130.2
[M+H-H2O]+ 114.055500 120.6
[M+HCOO]- 176.056441 142.1
[M+CH3COO]- 190.072091 162.8
[M+Na-2H]- 152.032906 130.0
[M]+ 131.05769142 119.0
[M]- 131.05878858 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.