CID 86322

1,2-diethyl-3-hydroxypyridin-4-one

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCC1=C(C(=O)C=CN1CC)O
InChI
InChI=1S/C9H13NO2/c1-3-7-9(12)8(11)5-6-10(7)4-2/h5-6,12H,3-4H2,1-2H3
InChIKey
XIYFEESCIBNMIC-UHFFFAOYSA-N
Compound name
1,2-diethyl-3-hydroxypyridin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

61
References

272
Patents

167.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.3
[M+Na]+ 190.08386 147.8
[M+NH4]+ 185.12846 142.0
[M+K]+ 206.05780 141.8
[M-H]- 166.08736 135.3
[M+Na-2H]- 188.06931 140.4
[M]+ 167.09409 136.4
[M]- 167.09519 136.4
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