CID 97276

37029-64-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=O)NC(=C1C(=O)C)O
InChI
InChI=1S/C8H9NO3/c1-4-3-6(11)9-8(12)7(4)5(2)10/h3H,1-2H3,(H2,9,11,12)
InChIKey
KXAZVCRSYYAAAX-UHFFFAOYSA-N
Compound name
5-acetyl-6-hydroxy-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

167.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 130.9
[M+Na]+ 190.047458 140.9
[M-H]- 166.050964 131.6
[M+NH4]+ 185.092063 149.3
[M+K]+ 206.021398 138.2
[M+H-H2O]+ 150.055500 125.5
[M+HCOO]- 212.056441 151.5
[M+CH3COO]- 226.072091 174.6
[M+Na-2H]- 188.032906 135.4
[M]+ 167.05769142 130.7
[M]- 167.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe