CID 274616

58713-03-4

Structural Information

Molecular Formula

C₈H₁₀N₂O₄

SMILES

CC(=O)C1C(=O)N(C(=O)N(C1=O)C)C

InChI

InChI=1S/C8H10N2O4/c1-4(11)5-6(12)9(2)8(14)10(3)7(5)13/h5H,1-3H3

InChIKey

OWMWKCXXKFMEPC-UHFFFAOYSA-N

Compound name

5-acetyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 198.06406 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]+	199.07134	141.8
[M+Na]+	221.05328	152.5
[M+NH4]+	216.09788	146.8
[M+K]+	237.02722	149.4
[M-H]-	197.05678	140.0
[M+Na-2H]-	219.03873	143.4
[M]+	198.06351	142.3
[M]-	198.06461	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe