CID 26632

14321-29-0

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CC(CC1(C(=O)NC(=O)NC1=O)CC=C)N

InChI

InChI=1S/C10H15N3O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3,6H,1,4-5,11H2,2H3,(H2,12,13,14,15,16)

InChIKey

FJHYSMADJBFFPL-UHFFFAOYSA-N

Compound name

5-(2-aminopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.11134 Da
Monoisotopic Mass: -0.1
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]+	226.118616	150.7
[M+Na]+	248.100558	157.4
[M-H]-	224.104064	148.2
[M+NH4]+	243.145163	166.3
[M+K]+	264.074498	153.6
[M+H-H2O]+	208.108600	145.0
[M+HCOO]-	270.109541	165.7
[M+CH3COO]-	284.125191	187.2
[M+Na-2H]-	246.086006	151.9
[M]+	225.11079142	144.7
[M]-	225.11188858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.