CID 445612

Piperidine-3,4,5-triol

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C1[C@H](C([C@H](CN1)O)O)O

InChI

InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5?

InChIKey

RMCNETIHECSPMZ-NGQZWQHPSA-N

Compound name

(3R,5S)-piperidine-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 172
Patents: 133.0739 Da
Monoisotopic Mass: -2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.08118	126.2
[M+Na]+	156.06312	135.1
[M+NH4]+	151.10772	132.9
[M+K]+	172.03706	132.0
[M-H]-	132.06662	124.8
[M+Na-2H]-	154.04857	128.5
[M]+	133.07335	126.5
[M]-	133.07445	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe