CID 16205538

84912-08-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC1=CC(=C(C(=O)N1C)C(=O)C)NC

InChI

InChI=1S/C10H14N2O2/c1-6-5-8(11-3)9(7(2)13)10(14)12(6)4/h5,11H,1-4H3

InChIKey

SMLZEERFFKYIJM-UHFFFAOYSA-N

Compound name

3-acetyl-1,6-dimethyl-4-(methylamino)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.9
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	139.7
[M+Na]+	217.094748	149.9
[M-H]-	193.098254	143.2
[M+NH4]+	212.139353	158.6
[M+K]+	233.068688	147.9
[M+H-H2O]+	177.102790	133.5
[M+HCOO]-	239.103731	163.5
[M+CH3COO]-	253.119381	189.8
[M+Na-2H]-	215.080196	143.8
[M]+	194.10498142	142.2
[M]-	194.10607858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.