CID 54676154

2(1h)-pyridinone, 3-acetyl-4-hydroxy-6-methyl-

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=C(C(=O)N1)C(=O)C)O
InChI
InChI=1S/C8H9NO3/c1-4-3-6(11)7(5(2)10)8(12)9-4/h3H,1-2H3,(H2,9,11,12)
InChIKey
ULZPHVRGOPLRGP-UHFFFAOYSA-N
Compound name
3-acetyl-4-hydroxy-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 130.9
[M+Na]+ 190.04746 140.9
[M-H]- 166.05096 131.6
[M+NH4]+ 185.09206 149.3
[M+K]+ 206.02140 138.2
[M+H-H2O]+ 150.05550 125.5
[M+HCOO]- 212.05644 151.5
[M+CH3COO]- 226.07209 174.6
[M+Na-2H]- 188.03291 135.4
[M]+ 167.05769 130.7
[M]- 167.05879 130.7
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