CID 69628603

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

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN1C(CCCC1=O)CO

InChI

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

InChIKey

HZFMUHWDTCSCFI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 143.09464 Da
Monoisotopic Mass: -0.5
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]+	144.101916	129.9
[M+Na]+	166.083858	136.7
[M-H]-	142.087364	130.5
[M+NH4]+	161.128463	149.6
[M+K]+	182.057798	135.5
[M+H-H2O]+	126.091900	124.3
[M+HCOO]-	188.092841	148.6
[M+CH3COO]-	202.108491	171.8
[M+Na-2H]-	164.069306	134.3
[M]+	143.09409142	126.3
[M]-	143.09518858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe