CID 54676118

4-hydroxy-1,6-dimethyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=CC(=O)N1C)O
InChI
InChI=1S/C7H9NO2/c1-5-3-6(9)4-7(10)8(5)2/h3-4,9H,1-2H3
InChIKey
FZLIGRQKDXWIEQ-UHFFFAOYSA-N
Compound name
4-hydroxy-1,6-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

72
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 123.6
[M+Na]+ 162.05254 134.6
[M-H]- 138.05604 125.8
[M+NH4]+ 157.09714 144.2
[M+K]+ 178.02648 132.7
[M+H-H2O]+ 122.06058 118.3
[M+HCOO]- 184.06152 146.7
[M+CH3COO]- 198.07717 171.9
[M+Na-2H]- 160.03799 130.4
[M]+ 139.06277 124.8
[M]- 139.06387 124.8
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