CID 98385

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

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]+ 237.12337 153.2
[M+Na]+ 259.10531 161.7
[M-H]- 235.10881 153.8
[M+NH4]+ 254.14991 169.8
[M+K]+ 275.07925 157.4
[M+H-H2O]+ 219.11335 147.0
[M+HCOO]- 281.11429 166.4
[M+CH3COO]- 295.12994 188.0
[M+Na-2H]- 257.09076 154.8
[M]+ 236.11554 147.2
[M]- 236.11664 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.