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]+ 226.14377 149.9
[M+Na]+ 248.12571 158.6
[M-H]- 224.12921 151.2
[M+NH4]+ 243.17031 166.9
[M+K]+ 264.09965 156.0
[M+H-H2O]+ 208.13375 143.3
[M+HCOO]- 270.13469 171.6
[M+CH3COO]- 284.15034 189.2
[M+Na-2H]- 246.11116 154.0
[M]+ 225.13594 154.4
[M]- 225.13704 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.