CID 3077062

Cp52

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 151.0
[M+Na]+ 248.12571 163.3
[M+NH4]+ 243.17031 157.5
[M+K]+ 264.09965 157.1
[M-H]- 224.12921 151.3
[M+Na-2H]- 246.11116 155.7
[M]+ 225.13594 152.7
[M]- 225.13704 152.7
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.