CID 206369

49786-32-5

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CN1C2=C(CCC2)C(=O)N(C1=O)C

InChI

InChI=1S/C9H12N2O2/c1-10-7-5-3-4-6(7)8(12)11(2)9(10)13/h3-5H2,1-2H3

InChIKey

BDLFOWSQKJPVEK-UHFFFAOYSA-N

Compound name

1,3-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.08987 Da
Monoisotopic Mass: 0.1
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]+	181.09715	134.6
[M+Na]+	203.07909	146.6
[M-H]-	179.08259	137.6
[M+NH4]+	198.12369	155.8
[M+K]+	219.05303	143.9
[M+H-H2O]+	163.08713	128.5
[M+HCOO]-	225.08807	156.6
[M+CH3COO]-	239.10372	181.6
[M+Na-2H]-	201.06454	139.6
[M]+	180.08932	136.7
[M]-	180.09042	136.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.