CID 72135

Vinylbital

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)

InChIKey

KGKJZEKQJQQOTD-UHFFFAOYSA-N

Compound name

5-ethenyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1517
Patents: 224.11609 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]+	225.12337	149.9
[M+Na]+	247.10531	157.1
[M-H]-	223.10881	147.9
[M+NH4]+	242.14991	166.3
[M+K]+	263.07925	153.4
[M+H-H2O]+	207.11335	144.5
[M+HCOO]-	269.11429	164.3
[M+CH3COO]-	283.12994	185.5
[M+Na-2H]-	245.09076	151.4
[M]+	224.11554	146.1
[M]-	224.11664	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe