CID 297406

89227-65-6

Structural Information

Molecular Formula

C₇H₉N₃O₃

SMILES

CN(C)C=C1C(=O)NC(=O)NC1=O

InChI

InChI=1S/C7H9N3O3/c1-10(2)3-4-5(11)8-7(13)9-6(4)12/h3H,1-2H3,(H2,8,9,11,12,13)

InChIKey

IFJJJQASQZGSAC-UHFFFAOYSA-N

Compound name

5-(dimethylaminomethylidene)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.06439 Da
Monoisotopic Mass: -0.8
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]+	184.071666	137.8
[M+Na]+	206.053608	145.4
[M-H]-	182.057114	137.5
[M+NH4]+	201.098213	154.1
[M+K]+	222.027548	143.0
[M+H-H2O]+	166.061650	131.2
[M+HCOO]-	228.062591	155.9
[M+CH3COO]-	242.078241	180.8
[M+Na-2H]-	204.039056	140.6
[M]+	183.06384142	133.0
[M]-	183.06493858	133.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.