CID 83679729

1531566-06-9

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1C2=NC=CC(=C2C(=O)N1)Br
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-9-5-3-10-7(11)6(4)5/h1-2H,3H2,(H,10,11)
InChIKey
HHVDENHKPJOSRB-UHFFFAOYSA-N
Compound name
4-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95853 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 140.2
[M+Na]+ 234.94775 143.2
[M+NH4]+ 229.99235 144.9
[M+K]+ 250.92169 144.8
[M-H]- 210.95125 139.3
[M+Na-2H]- 232.93320 142.0
[M]+ 211.95798 139.0
[M]- 211.95908 139.0
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.