CID 206225

Brn 0752989

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₄

SMILES

CCC1(C(=O)N(C(=O)N(C1=O)COC)C)CC

InChI

InChI=1S/C11H18N2O4/c1-5-11(6-2)8(14)12(3)10(16)13(7-17-4)9(11)15/h5-7H2,1-4H3

InChIKey

HUKZUGLRYBKXJF-UHFFFAOYSA-N

Compound name

5,5-diethyl-1-(methoxymethyl)-3-methyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.12666 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]+	243.13394	149.6
[M+Na]+	265.11588	159.3
[M-H]-	241.11938	151.0
[M+NH4]+	260.16048	167.4
[M+K]+	281.08982	158.2
[M+H-H2O]+	225.12392	143.9
[M+HCOO]-	287.12486	168.0
[M+CH3COO]-	301.14051	195.1
[M+Na-2H]-	263.10133	152.3
[M]+	242.12611	153.2
[M]-	242.12721	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe