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

68
Patents

209.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 146.9
[M+Na]+ 232.130808 155.7
[M-H]- 208.134314 148.2
[M+NH4]+ 227.175413 164.6
[M+K]+ 248.104748 152.5
[M+H-H2O]+ 192.138850 140.5
[M+HCOO]- 254.139791 168.3
[M+CH3COO]- 268.155441 187.1
[M+Na-2H]- 230.116256 151.0
[M]+ 209.14104142 149.9
[M]- 209.14213858 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

literature stripe

Patent stripe

patents stripe