CID 95705

27653-63-0

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C7H10N2O3/c1-3-7(2)4(10)8-6(12)9-5(7)11/h3H2,1-2H3,(H2,8,9,10,11,12)

InChIKey

RCFRTWDBBMGLGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 170.06914 Da
Monoisotopic Mass: 0.0
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]+	171.076416	134.2
[M+Na]+	193.058358	143.1
[M-H]-	169.061864	132.8
[M+NH4]+	188.102963	152.9
[M+K]+	209.032298	140.4
[M+H-H2O]+	153.066400	129.2
[M+HCOO]-	215.067341	150.7
[M+CH3COO]-	229.082991	173.3
[M+Na-2H]-	191.043806	138.8
[M]+	170.06859142	130.2
[M]-	170.06968858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe