CID 203430

14387-62-3

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCC1(C=C(C(=O)NC1=O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H13NO3/c1-2-13(9-6-4-3-5-7-9)8-10(15)11(16)14-12(13)17/h3-8,15H,2H2,1H3,(H,14,16,17)
InChIKey
QODRFVBHCWUAJM-UHFFFAOYSA-N
Compound name
3-ethyl-5-hydroxy-3-phenylpyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 150.3
[M+Na]+ 254.07876 158.7
[M-H]- 230.08226 153.5
[M+NH4]+ 249.12336 167.6
[M+K]+ 270.05270 154.4
[M+H-H2O]+ 214.08680 143.7
[M+HCOO]- 276.08774 168.9
[M+CH3COO]- 290.10339 184.9
[M+Na-2H]- 252.06421 155.2
[M]+ 231.08899 147.5
[M]- 231.09009 147.5
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

No patent data available for this compound.