CID 117013873

Refchem:431800

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCC(C1)N2CC(CCC2=O)O

InChI

InChI=1S/C10H17NO2/c12-9-5-6-10(13)11(7-9)8-3-1-2-4-8/h8-9,12H,1-7H2

InChIKey

QYUUJNDYPWQISO-UHFFFAOYSA-N

Compound name

1-cyclopentyl-5-hydroxypiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 0.4
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]+	184.133206	142.2
[M+Na]+	206.115148	146.9
[M-H]-	182.118654	145.2
[M+NH4]+	201.159753	161.5
[M+K]+	222.089088	144.7
[M+H-H2O]+	166.123190	135.6
[M+HCOO]-	228.124131	159.2
[M+CH3COO]-	242.139781	177.2
[M+Na-2H]-	204.100596	142.9
[M]+	183.12538142	135.0
[M]-	183.12647858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.