CID 98385

2,4-diazaspiro(5.5)undec-8-ene-1,3,5-trione, 8,9,11-trimethyl-

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1CC(=C(CC12C(=O)NC(=O)NC2=O)C)C
InChI
InChI=1S/C12H16N2O3/c1-6-4-8(3)12(5-7(6)2)9(15)13-11(17)14-10(12)16/h8H,4-5H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
DXHXNVHIVCXSOO-UHFFFAOYSA-N
Compound name
8,9,11-trimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.2
[M+Na]+ 259.105308 161.7
[M-H]- 235.108814 153.8
[M+NH4]+ 254.149913 169.8
[M+K]+ 275.079248 157.4
[M+H-H2O]+ 219.113350 147.0
[M+HCOO]- 281.114291 166.4
[M+CH3COO]- 295.129941 188.0
[M+Na-2H]- 257.090756 154.8
[M]+ 236.11554142 147.2
[M]- 236.11663858 147.2
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

No patent data available for this compound.