CID 46500

64038-19-3

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C(C)CC=C
InChI
InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
XQDSAXHXGITWHH-UHFFFAOYSA-N
Compound name
5-ethyl-5-pent-4-en-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.9
[M+Na]+ 247.10531 157.1
[M-H]- 223.10881 147.9
[M+NH4]+ 242.14991 166.3
[M+K]+ 263.07925 153.4
[M+H-H2O]+ 207.11335 144.5
[M+HCOO]- 269.11429 164.3
[M+CH3COO]- 283.12994 185.5
[M+Na-2H]- 245.09076 151.4
[M]+ 224.11554 146.1
[M]- 224.11664 146.1
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.