CID 89269

20096-03-1

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCC1(C(=O)C(=CNC1=O)CO)CC
InChI
InChI=1S/C10H15NO3/c1-3-10(4-2)8(13)7(6-12)5-11-9(10)14/h5,12H,3-4,6H2,1-2H3,(H,11,14)
InChIKey
LRBLMOZKEZGJGQ-UHFFFAOYSA-N
Compound name
3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 141.9
[M+Na]+ 220.09442 150.2
[M-H]- 196.09792 141.8
[M+NH4]+ 215.13902 161.1
[M+K]+ 236.06836 147.3
[M+H-H2O]+ 180.10246 137.2
[M+HCOO]- 242.10340 160.0
[M+CH3COO]- 256.11905 180.0
[M+Na-2H]- 218.07987 146.0
[M]+ 197.10465 140.6
[M]- 197.10575 140.6
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.