CID 48457

66941-08-0

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃

SMILES

CCCC(C)C1(C(=O)NC(=O)N(C1=O)C)C

InChI

InChI=1S/C11H18N2O3/c1-5-6-7(2)11(3)8(14)12-10(16)13(4)9(11)15/h7H,5-6H2,1-4H3,(H,12,14,16)

InChIKey

UITOSQGEGYAGQL-UHFFFAOYSA-N

Compound name

1,5-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.13174 Da
Monoisotopic Mass: 2.1
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]+	227.13902	149.0
[M+Na]+	249.12096	157.3
[M-H]-	225.12446	148.7
[M+NH4]+	244.16556	166.4
[M+K]+	265.09490	155.1
[M+H-H2O]+	209.12900	143.6
[M+HCOO]-	271.12994	164.7
[M+CH3COO]-	285.14559	190.1
[M+Na-2H]-	247.10641	150.4
[M]+	226.13119	148.1
[M]-	226.13229	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe