CID 3024426

Einecs 305-818-4

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCC(C(C)C)C1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C12H20N2O3/c1-5-8(7(3)4)12(6-2)9(15)13-11(17)14-10(12)16/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKey
MXXWTDJMNCLMLK-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 155.3
[M+Na]+ 263.136618 161.6
[M-H]- 239.140124 153.1
[M+NH4]+ 258.181223 171.1
[M+K]+ 279.110558 158.8
[M+H-H2O]+ 223.144660 149.9
[M+HCOO]- 285.145601 168.1
[M+CH3COO]- 299.161251 190.3
[M+Na-2H]- 261.122066 155.1
[M]+ 240.14685142 151.9
[M]- 240.14794858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.