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]+ 132.06552 125.6
[M+Na]+ 154.04746 132.4
[M-H]- 130.05096 123.7
[M+NH4]+ 149.09206 144.2
[M+K]+ 170.02140 130.2
[M+H-H2O]+ 114.05550 120.6
[M+HCOO]- 176.05644 142.1
[M+CH3COO]- 190.07209 162.8
[M+Na-2H]- 152.03291 130.0
[M]+ 131.05769 119.0
[M]- 131.05879 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.