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

2
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.112476	141.9
[M+Na]+	220.094418	150.2
[M-H]-	196.097924	141.8
[M+NH4]+	215.139023	161.1
[M+K]+	236.068358	147.3
[M+H-H2O]+	180.102460	137.2
[M+HCOO]-	242.103401	160.0
[M+CH3COO]-	256.119051	180.0
[M+Na-2H]-	218.079866	146.0
[M]+	197.10465142	140.6
[M]-	197.10574858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.