CID 27214

15379-32-5

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C10H16N2O3/c1-5-10(9(2,3)4)6(13)11-8(15)12-7(10)14/h5H2,1-4H3,(H2,11,12,13,14,15)

InChIKey

DKRAUVNSWYTDCB-UHFFFAOYSA-N

Compound name

5-tert-butyl-5-ethyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.11609 Da
Monoisotopic Mass: 1.4
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]+	213.123366	147.7
[M+Na]+	235.105308	155.8
[M-H]-	211.108814	146.1
[M+NH4]+	230.149913	164.9
[M+K]+	251.079248	152.9
[M+H-H2O]+	195.113350	143.0
[M+HCOO]-	257.114291	161.6
[M+CH3COO]-	271.129941	182.1
[M+Na-2H]-	233.090756	151.7
[M]+	212.11554142	144.3
[M]-	212.11663858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe