CID 9543025

2,6-dihydroxypseudooxynicotine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CNCCCC(=O)C1=C(NC(=O)C=C1)O

InChI

InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)

InChIKey

JJJLAXLRPLCXNT-UHFFFAOYSA-N

Compound name

6-hydroxy-5-[4-(methylamino)butanoyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 210.10045 Da
Monoisotopic Mass: -0.1
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]+	211.107726	145.1
[M+Na]+	233.089668	152.3
[M-H]-	209.093174	144.9
[M+NH4]+	228.134273	161.0
[M+K]+	249.063608	149.0
[M+H-H2O]+	193.097710	138.4
[M+HCOO]-	255.098651	166.0
[M+CH3COO]-	269.114301	184.6
[M+Na-2H]-	231.075116	149.4
[M]+	210.09990142	144.4
[M]-	210.10099858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe