CID 244757

5750-82-3

Structural Information

Molecular Formula

C₆H₇BrN₂O₃

SMILES

CCC1(C(=O)NC(=O)NC1=O)Br

InChI

InChI=1S/C6H7BrN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h2H2,1H3,(H2,8,9,10,11,12)

InChIKey

LZAPUUNDQAWAKL-UHFFFAOYSA-N

Compound name

5-bromo-5-ethyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.964 Da
Monoisotopic Mass: 0.6
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]+	234.97128	135.6
[M+Na]+	256.95322	147.7
[M-H]-	232.95672	137.1
[M+NH4]+	251.99782	155.3
[M+K]+	272.92716	136.0
[M+H-H2O]+	216.96126	136.6
[M+HCOO]-	278.96220	150.4
[M+CH3COO]-	292.97785	181.0
[M+Na-2H]-	254.93867	142.1
[M]+	233.96345	150.3
[M]-	233.96455	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe