CID 103331

65208-42-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC1=CC(=O)N(C(=O)N1)CC(C)C

InChI

InChI=1S/C9H14N2O2/c1-6(2)5-11-8(12)4-7(3)10-9(11)13/h4,6H,5H2,1-3H3,(H,10,13)

InChIKey

FMRWAKZUWFOTDM-UHFFFAOYSA-N

Compound name

6-methyl-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 182.10553 Da
Monoisotopic Mass: 0.9
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]+	183.11281	137.1
[M+Na]+	205.09475	147.2
[M-H]-	181.09825	137.5
[M+NH4]+	200.13935	154.5
[M+K]+	221.06869	144.4
[M+H-H2O]+	165.10279	130.6
[M+HCOO]-	227.10373	157.4
[M+CH3COO]-	241.11938	180.9
[M+Na-2H]-	203.08020	141.5
[M]+	182.10498	138.2
[M]-	182.10608	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe