CID 49296

Brn 0211373

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CC(C)C1(C(=O)NC(=O)NC1=O)CC=C(C)C

InChI

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

InChIKey

ZCDHRBAYNFWZBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
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]+	239.13902	157.1
[M+Na]+	261.12096	165.4
[M+NH4]+	256.16556	162.6
[M+K]+	277.09490	160.2
[M-H]-	237.12446	154.2
[M+Na-2H]-	259.10641	158.6
[M]+	238.13119	157.0
[M]-	238.13229	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe