CID 439476

6-hydroxypseudooxynicotine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CNCCCC(=O)C1=CNC(=O)C=C1

InChI

InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)

InChIKey

UMLOUOBDBGOHHR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 19
Patents: 194.10553 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]+	195.112806	141.9
[M+Na]+	217.094748	148.7
[M-H]-	193.098254	142.7
[M+NH4]+	212.139353	159.0
[M+K]+	233.068688	145.7
[M+H-H2O]+	177.102790	135.0
[M+HCOO]-	239.103731	164.2
[M+CH3COO]-	253.119381	183.6
[M+Na-2H]-	215.080196	147.4
[M]+	194.10498142	141.2
[M]-	194.10607858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe