CID 3853601

Piperidine-4,4-diol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1CNCCC1(O)O

InChI

InChI=1S/C5H11NO2/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2

InChIKey

TUDHHJQPQZFEIH-UHFFFAOYSA-N

Compound name

piperidine-4,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 771
Patents: 117.07898 Da
Monoisotopic Mass: -1.1
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]+	118.086256	124.9
[M+Na]+	140.068198	130.5
[M-H]-	116.071704	122.7
[M+NH4]+	135.112803	145.7
[M+K]+	156.042138	128.7
[M+H-H2O]+	100.076240	120.4
[M+HCOO]-	162.077181	141.0
[M+CH3COO]-	176.092831	158.7
[M+Na-2H]-	138.053646	131.7
[M]+	117.07843142	117.1
[M]-	117.07952858	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe