CID 445613

(3r,4s)-piperidine-3,4-diol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1CNC[C@H]([C@@H]1O)O

InChI

InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1

InChIKey

IZXWMVPZODQBRB-RFZPGFLSSA-N

Compound name

(3R,4R)-piperidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 578
Patents: 117.07898 Da
Monoisotopic Mass: -1.3
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]+	118.08626	124.4
[M+Na]+	140.06820	130.0
[M-H]-	116.07170	122.1
[M+NH4]+	135.11280	143.4
[M+K]+	156.04214	128.0
[M+H-H2O]+	100.07624	119.3
[M+HCOO]-	162.07718	140.5
[M+CH3COO]-	176.09283	160.3
[M+Na-2H]-	138.05365	129.4
[M]+	117.07843	116.7
[M]-	117.07953	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe