CID 121733

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

Structural Information

Molecular Formula
C10H15NO2
SMILES
CCCCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C10H15NO2/c1-3-4-6-11-7-5-9(12)10(13)8(11)2/h5,7,13H,3-4,6H2,1-2H3
InChIKey
YYJBZFVEZYRNEW-UHFFFAOYSA-N
Compound name
1-butyl-3-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

40
Patents

181.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.8
[M+Na]+ 204.09950 152.1
[M+NH4]+ 199.14410 146.3
[M+K]+ 220.07344 145.8
[M-H]- 180.10300 139.8
[M+Na-2H]- 202.08495 144.6
[M]+ 181.10973 140.9
[M]- 181.11083 140.9
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