CID 3045891

61280-30-6

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

C1CCCN(CC1)C2=NC(=O)CC(=O)N2

InChI

InChI=1S/C10H15N3O2/c14-8-7-9(15)12-10(11-8)13-5-3-1-2-4-6-13/h1-7H2,(H,11,12,14,15)

InChIKey

IJOREYLIDYPKAV-UHFFFAOYSA-N

Compound name

2-(azepan-1-yl)-1H-pyrimidine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.11642 Da
Monoisotopic Mass: 0.3
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]+	210.123696	146.1
[M+Na]+	232.105638	149.9
[M-H]-	208.109144	147.5
[M+NH4]+	227.150243	158.6
[M+K]+	248.079578	151.1
[M+H-H2O]+	192.113680	136.3
[M+HCOO]-	254.114621	159.4
[M+CH3COO]-	268.130271	183.3
[M+Na-2H]-	230.091086	148.9
[M]+	209.11587142	135.7
[M]-	209.11696858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.