CID 96505

1-cyclohexyluracil

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CCC(CC1)N2C=CC(=O)NC2=O

InChI

InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,13,14)

InChIKey

SYRKUUKGYSRJPB-UHFFFAOYSA-N

Compound name

1-cyclohexylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 30
Patents: 194.10553 Da
Monoisotopic Mass: 1.0
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]+	195.11281	141.1
[M+Na]+	217.09475	148.3
[M-H]-	193.09825	143.4
[M+NH4]+	212.13935	156.9
[M+K]+	233.06869	144.6
[M+H-H2O]+	177.10279	133.0
[M+HCOO]-	239.10373	159.1
[M+CH3COO]-	253.11938	178.7
[M+Na-2H]-	215.08020	146.3
[M]+	194.10498	135.9
[M]-	194.10608	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe