CID 48456

66941-07-9

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCCC(C)C1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C11H18N2O3/c1-5-6-7(2)8-9(14)12(3)11(16)13(4)10(8)15/h7-8H,5-6H2,1-4H3
InChIKey
XOADURCWFNUIPK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 149.5
[M+Na]+ 249.12096 158.2
[M-H]- 225.12446 150.6
[M+NH4]+ 244.16556 165.9
[M+K]+ 265.09490 156.5
[M+H-H2O]+ 209.12900 143.0
[M+HCOO]- 271.12994 166.6
[M+CH3COO]- 285.14559 194.4
[M+Na-2H]- 247.10641 149.3
[M]+ 226.13119 150.5
[M]- 226.13229 150.5
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.