CID 88800

21149-88-2

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC=C(C)C
InChI
InChI=1S/C11H16N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h5H,4,6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
VDVCBHJNKZNXKT-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

224.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 150.2
[M+Na]+ 247.10531 157.5
[M-H]- 223.10881 148.2
[M+NH4]+ 242.14991 166.7
[M+K]+ 263.07925 153.8
[M+H-H2O]+ 207.11335 144.8
[M+HCOO]- 269.11429 164.6
[M+CH3COO]- 283.12994 184.9
[M+Na-2H]- 245.09076 151.7
[M]+ 224.11554 146.3
[M]- 224.11664 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe