CID 122361206

1980053-14-2

Structural Information

Molecular Formula
C12H11BrN2O2
SMILES
C1CC2(CCC1=O)C3=C(NC2=O)N=CC(=C3)Br
InChI
InChI=1S/C12H11BrN2O2/c13-7-5-9-10(14-6-7)15-11(17)12(9)3-1-8(16)2-4-12/h5-6H,1-4H2,(H,14,15,17)
InChIKey
OSXZMSXLVMDLCU-UHFFFAOYSA-N
Compound name
5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-cyclohexane]-1',2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.0004 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.007676 158.3
[M+Na]+ 316.989618 170.3
[M-H]- 292.993124 163.7
[M+NH4]+ 312.034223 179.2
[M+K]+ 332.963558 158.0
[M+H-H2O]+ 276.997660 158.1
[M+HCOO]- 338.998601 172.9
[M+CH3COO]- 353.014251 171.5
[M+Na-2H]- 314.975066 163.7
[M]+ 293.99985142 172.6
[M]- 294.00094858 172.6
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

patents stripe