CID 48520

66941-50-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CCC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C

InChI

InChI=1S/C12H18N2O3/c1-5-7-12(8(3)6-2)9(15)13-11(17)14(4)10(12)16/h5,8H,1,6-7H2,2-4H3,(H,13,15,17)

InChIKey

WZZKIVVBTRKVJO-UHFFFAOYSA-N

Compound name

5-butan-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.13174 Da
Monoisotopic Mass: 2.3
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]+	239.139016	151.8
[M+Na]+	261.120958	159.9
[M-H]-	237.124464	151.4
[M+NH4]+	256.165563	168.7
[M+K]+	277.094898	156.9
[M+H-H2O]+	221.129000	146.3
[M+HCOO]-	283.129941	167.4
[M+CH3COO]-	297.145591	192.3
[M+Na-2H]-	259.106406	152.8
[M]+	238.13119142	150.6
[M]-	238.13228858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe