CID 6480491

Chembl451569

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1CC(CN(C1)C(=O)CO)O

InChI

InChI=1S/C7H13NO3/c9-5-7(11)8-3-1-2-6(10)4-8/h6,9-10H,1-5H2

InChIKey

VAAOTOCUFUAGJA-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(3-hydroxypiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 159.08954 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]+	160.09682	134.4
[M+Na]+	182.07876	139.6
[M-H]-	158.08226	133.3
[M+NH4]+	177.12336	152.3
[M+K]+	198.05270	138.4
[M+H-H2O]+	142.08680	128.6
[M+HCOO]-	204.08774	150.8
[M+CH3COO]-	218.10339	170.4
[M+Na-2H]-	180.06421	137.7
[M]+	159.08899	129.3
[M]-	159.09009	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.