CID 55286438

173414-34-1

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1[C@H](CNC[C@H]1O)O

InChI

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

InChIKey

QCQKTGJRAPFKRX-SYDPRGILSA-N

Compound name

(3S,5R)-piperidine-3,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 102
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

No literature data available for this compound.

Patent stripe

patents stripe