CID 4208570

96396-16-6

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CCCCN1C(=O)CCC(=O)N1CCCC

InChI

InChI=1S/C12H22N2O2/c1-3-5-9-13-11(15)7-8-12(16)14(13)10-6-4-2/h3-10H2,1-2H3

InChIKey

HRHLLCJJMPUHDY-UHFFFAOYSA-N

Compound name

1,2-dibutyldiazinane-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.16812 Da
Monoisotopic Mass: 1.6
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	154.6
[M+Na]+	249.157338	161.0
[M-H]-	225.160844	154.6
[M+NH4]+	244.201943	170.6
[M+K]+	265.131278	158.7
[M+H-H2O]+	209.165380	147.1
[M+HCOO]-	271.166321	172.0
[M+CH3COO]-	285.181971	192.7
[M+Na-2H]-	247.142786	156.2
[M]+	226.16757142	155.0
[M]-	226.16866858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.