CID 43381801

2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CCC2(C1)CC(=O)N(C2=O)C3=CC=CC(=C3)N
InChI
InChI=1S/C14H16N2O2/c15-10-4-3-5-11(8-10)16-12(17)9-14(13(16)18)6-1-2-7-14/h3-5,8H,1-2,6-7,9,15H2
InChIKey
KTFPWRGUBKCAEK-UHFFFAOYSA-N
Compound name
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.8
[M+Na]+ 267.11041 162.5
[M-H]- 243.11391 162.3
[M+NH4]+ 262.15501 176.2
[M+K]+ 283.08435 158.5
[M+H-H2O]+ 227.11845 148.1
[M+HCOO]- 289.11939 176.4
[M+CH3COO]- 303.13504 167.3
[M+Na-2H]- 265.09586 155.3
[M]+ 244.12064 149.9
[M]- 244.12174 149.9
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.