CID 10488627

1-hexyl-3-hydroxy-2-methyl-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCCCCCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C12H19NO2/c1-3-4-5-6-8-13-9-7-11(14)12(15)10(13)2/h7,9,15H,3-6,8H2,1-2H3
InChIKey
UJMBXXIGVFMNDN-UHFFFAOYSA-N
Compound name
1-hexyl-3-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

67
Patents

209.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 146.9
[M+Na]+ 232.13081 155.7
[M-H]- 208.13431 148.2
[M+NH4]+ 227.17541 164.6
[M+K]+ 248.10475 152.5
[M+H-H2O]+ 192.13885 140.5
[M+HCOO]- 254.13979 168.3
[M+CH3COO]- 268.15544 187.1
[M+Na-2H]- 230.11626 151.0
[M]+ 209.14104 149.9
[M]- 209.14214 149.9
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.