CID 68655680

34654-87-0

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

C1CCC(CC1)N2C(=O)C=C(NC2=O)Cl

InChI

InChI=1S/C10H13ClN2O2/c11-8-6-9(14)13(10(15)12-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,15)

InChIKey

NKVKETRQSFONJI-UHFFFAOYSA-N

Compound name

6-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.06656 Da
Monoisotopic Mass: 1.9
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]+	229.07384	146.8
[M+Na]+	251.05578	155.6
[M-H]-	227.05928	149.2
[M+NH4]+	246.10038	162.3
[M+K]+	267.02972	150.2
[M+H-H2O]+	211.06382	139.4
[M+HCOO]-	273.06476	160.1
[M+CH3COO]-	287.08041	183.7
[M+Na-2H]-	249.04123	150.8
[M]+	228.06601	143.9
[M]-	228.06711	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe