CID 4164670

15533-70-7

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CCN1CCC(=O)NC1=O

InChI

InChI=1S/C6H10N2O2/c1-2-8-4-3-5(9)7-6(8)10/h2-4H2,1H3,(H,7,9,10)

InChIKey

LWBIXHAADUKEAM-UHFFFAOYSA-N

Compound name

1-ethyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 142.07423 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]+	143.08151	129.1
[M+Na]+	165.06345	136.8
[M-H]-	141.06695	128.5
[M+NH4]+	160.10805	147.4
[M+K]+	181.03739	135.0
[M+H-H2O]+	125.07149	122.8
[M+HCOO]-	187.07243	147.0
[M+CH3COO]-	201.08808	170.7
[M+Na-2H]-	163.04890	134.0
[M]+	142.07368	125.1
[M]-	142.07478	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe