CID 13267

834-90-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC1C(=O)NC(=O)N(C1=O)C2CCCCC2

InChI

InChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16)

InChIKey

NOMGRDIADBNCNU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 329
Patents: 224.11609 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]+	225.12337	151.7
[M+Na]+	247.10531	157.4
[M-H]-	223.10881	153.5
[M+NH4]+	242.14991	166.3
[M+K]+	263.07925	154.2
[M+H-H2O]+	207.11335	143.9
[M+HCOO]-	269.11429	165.3
[M+CH3COO]-	283.12994	186.6
[M+Na-2H]-	245.09076	152.0
[M]+	224.11554	144.1
[M]-	224.11664	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe