CID 49202

Brn 0233081

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCCCC1(C(=O)NC(=O)NC1=O)CC=C(C)C

InChI

InChI=1S/C13H20N2O3/c1-4-5-7-13(8-6-9(2)3)10(16)14-12(18)15-11(13)17/h6H,4-5,7-8H2,1-3H3,(H2,14,15,16,17,18)

InChIKey

ZLIAEIMDLFSHJY-UHFFFAOYSA-N

Compound name

5-butyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1474 Da
Monoisotopic Mass: 2.9
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]+	253.154676	158.9
[M+Na]+	275.136618	165.3
[M-H]-	251.140124	156.5
[M+NH4]+	270.181223	174.2
[M+K]+	291.110558	161.2
[M+H-H2O]+	235.144660	153.1
[M+HCOO]-	297.145601	172.6
[M+CH3COO]-	311.161251	190.9
[M+Na-2H]-	273.122066	159.3
[M]+	252.14685142	155.7
[M]-	252.14794858	155.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.