CID 5381862

72961-79-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CCC1(C(=O)NC(=O)NC1=O)/C(=C/C(C)C)/C

InChI

InChI=1S/C12H18N2O3/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16/h6-7H,5H2,1-4H3,(H2,13,14,15,16,17)/b8-6+

InChIKey

KWLOYSONHUJJQF-SOFGYWHQSA-N

Compound name

5-ethyl-5-[(E)-4-methylpent-2-en-2-yl]-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.13174 Da
Monoisotopic Mass: 2.0
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]+	239.139016	154.0
[M+Na]+	261.120958	160.7
[M-H]-	237.124464	152.0
[M+NH4]+	256.165563	169.9
[M+K]+	277.094898	157.3
[M+H-H2O]+	221.129000	148.7
[M+HCOO]-	283.129941	167.1
[M+CH3COO]-	297.145591	188.8
[M+Na-2H]-	259.106406	153.9
[M]+	238.13119142	149.9
[M]-	238.13228858	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.