CID 3077062

4(1h)-pyridinone, 1-(4-ethoxybutyl)-3-hydroxy-2-methyl-

Structural Information

Molecular Formula
C12H19NO3
SMILES
CCOCCCCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C12H19NO3/c1-3-16-9-5-4-7-13-8-6-11(14)12(15)10(13)2/h6,8,15H,3-5,7,9H2,1-2H3
InChIKey
PMQNMLJJOUWKRN-UHFFFAOYSA-N
Compound name
1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 149.9
[M+Na]+ 248.125708 158.6
[M-H]- 224.129214 151.2
[M+NH4]+ 243.170313 166.9
[M+K]+ 264.099648 156.0
[M+H-H2O]+ 208.133750 143.3
[M+HCOO]- 270.134691 171.6
[M+CH3COO]- 284.150341 189.2
[M+Na-2H]- 246.111156 154.0
[M]+ 225.13594142 154.4
[M]- 225.13703858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.