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

7
Patents

294.0004 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00768 162.7
[M+Na]+ 316.98962 164.9
[M+NH4]+ 312.03422 168.1
[M+K]+ 332.96356 164.5
[M-H]- 292.99312 162.5
[M+Na-2H]- 314.97507 164.4
[M]+ 293.99985 161.7
[M]- 294.00095 161.7
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