CID 54720146

41935-71-1

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=CNC(=O)C=C1O
InChI
InChI=1S/C6H7NO2/c1-4-3-7-6(9)2-5(4)8/h2-3H,1H3,(H2,7,8,9)
InChIKey
DOTGZUGIZALMLZ-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

125.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.6
[M+Na]+ 148.036894 130.7
[M-H]- 124.040400 121.2
[M+NH4]+ 143.081499 140.7
[M+K]+ 164.010834 128.0
[M+H-H2O]+ 108.044936 115.5
[M+HCOO]- 170.045877 142.6
[M+CH3COO]- 184.061527 165.1
[M+Na-2H]- 146.022342 128.1
[M]+ 125.04712742 119.2
[M]- 125.04822458 119.2
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