CID 58763646

5-hydroxy-1-methylpiperidin-2-one

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN1CC(CCC1=O)O

InChI

InChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3

InChIKey

UCSPSEUVPQTOQD-UHFFFAOYSA-N

Compound name

5-hydroxy-1-methylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 129.07898 Da
Monoisotopic Mass: -0.8
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]+	130.08626	125.3
[M+Na]+	152.06820	132.6
[M-H]-	128.07170	126.1
[M+NH4]+	147.11280	145.6
[M+K]+	168.04214	131.6
[M+H-H2O]+	112.07624	119.9
[M+HCOO]-	174.07718	144.3
[M+CH3COO]-	188.09283	168.7
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	121.4
[M]-	129.07953	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe