CID 84648854

1780429-54-0

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN1CC(CCC1=O)CO

InChI

InChI=1S/C7H13NO2/c1-8-4-6(5-9)2-3-7(8)10/h6,9H,2-5H2,1H3

InChIKey

RBAIZUMEBMLVSK-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-1-methylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -0.6
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]+	144.10192	130.3
[M+Na]+	166.08386	141.0
[M+NH4]+	161.12846	138.1
[M+K]+	182.05780	135.8
[M-H]-	142.08736	130.7
[M+Na-2H]-	164.06931	134.3
[M]+	143.09409	131.6
[M]-	143.09519	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.