CID 42472

57562-99-9

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C12H20N2O3/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17)

InChIKey

OIIGBIYLGSWNKY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.1474 Da
Monoisotopic Mass: 2.4
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]+	241.154676	153.4
[M+Na]+	263.136618	161.3
[M-H]-	239.140124	153.0
[M+NH4]+	258.181223	170.3
[M+K]+	279.110558	158.9
[M+H-H2O]+	223.144660	147.8
[M+HCOO]-	285.145601	168.8
[M+CH3COO]-	299.161251	193.1
[M+Na-2H]-	261.122066	154.3
[M]+	240.14685142	152.9
[M]-	240.14794858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe