CID 3275480

22264-19-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CCC(C)N1C(=O)CCC(=O)N1C(C)CC

InChI

InChI=1S/C12H22N2O2/c1-5-9(3)13-11(15)7-8-12(16)14(13)10(4)6-2/h9-10H,5-8H2,1-4H3

InChIKey

WKDHKHBYZQXXLA-UHFFFAOYSA-N

Compound name

1,2-di(butan-2-yl)diazinane-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: 1.7
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]+	227.175396	153.9
[M+Na]+	249.157338	159.9
[M-H]-	225.160844	154.2
[M+NH4]+	244.201943	169.8
[M+K]+	265.131278	158.5
[M+H-H2O]+	209.165380	146.9
[M+HCOO]-	271.166321	169.4
[M+CH3COO]-	285.181971	194.4
[M+Na-2H]-	247.142786	153.2
[M]+	226.16757142	153.2
[M]-	226.16866858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.