CID 49170

67050-19-5

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCCCOCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C11H18N2O4/c1-3-5-6-17-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
RUDRTTWECOKWJP-UHFFFAOYSA-N
Compound name
5-(butoxymethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 154.1
[M+Na]+ 265.115878 161.1
[M-H]- 241.119384 151.9
[M+NH4]+ 260.160483 169.8
[M+K]+ 281.089818 158.0
[M+H-H2O]+ 225.123920 148.1
[M+HCOO]- 287.124861 169.4
[M+CH3COO]- 301.140511 187.7
[M+Na-2H]- 263.101326 156.8
[M]+ 242.12611142 153.0
[M]- 242.12720858 153.0
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.