CID 3050921

Brn 0017227

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCC1CC=CCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H14N2O3/c1-2-7-5-3-4-6-11(7)8(14)12-10(16)13-9(11)15/h3-4,7H,2,5-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
CUBBFQVHYBRLLY-UHFFFAOYSA-N
Compound name
11-ethyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.9
[M+Na]+ 245.089668 157.0
[M-H]- 221.093174 149.8
[M+NH4]+ 240.134273 166.4
[M+K]+ 261.063608 152.7
[M+H-H2O]+ 205.097710 143.1
[M+HCOO]- 267.098651 163.5
[M+CH3COO]- 281.114301 182.4
[M+Na-2H]- 243.075116 153.3
[M]+ 222.09990142 142.6
[M]- 222.10099858 142.6
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.