CID 343672

7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1CCC2(C1)C(C(=O)NC(=O)C2C#N)C#N
InChI
InChI=1S/C11H11N3O2/c12-5-7-9(15)14-10(16)8(6-13)11(7)3-1-2-4-11/h7-8H,1-4H2,(H,14,15,16)
InChIKey
USIMPDHJLHKMKA-UHFFFAOYSA-N
Compound name
7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

217.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 156.7
[M+Na]+ 240.07435 167.2
[M-H]- 216.07785 159.6
[M+NH4]+ 235.11895 170.3
[M+K]+ 256.04829 160.2
[M+H-H2O]+ 200.08239 141.9
[M+HCOO]- 262.08333 165.2
[M+CH3COO]- 276.09898 215.3
[M+Na-2H]- 238.05980 156.9
[M]+ 217.08458 144.8
[M]- 217.08568 144.8
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