CID 98384

67196-42-3

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCCC1CC=CCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C12H16N2O3/c1-2-5-8-6-3-4-7-12(8)9(15)13-11(17)14-10(12)16/h3-4,8H,2,5-7H2,1H3,(H2,13,14,15,16,17)
InChIKey
UAXHMOQIGLPVBS-UHFFFAOYSA-N
Compound name
11-propyl-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

236.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 154.2
[M+Na]+ 259.105308 160.9
[M-H]- 235.108814 153.9
[M+NH4]+ 254.149913 170.1
[M+K]+ 275.079248 156.4
[M+H-H2O]+ 219.113350 147.2
[M+HCOO]- 281.114291 167.4
[M+CH3COO]- 295.129941 185.4
[M+Na-2H]- 257.090756 157.1
[M]+ 236.11554142 147.3
[M]- 236.11663858 147.3
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.