CID 15296268

175424-31-4

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C(=O)CC2=C1N=CC(=C2)Br
InChI
InChI=1S/C8H7BrN2O/c1-11-7(12)3-5-2-6(9)4-10-8(5)11/h2,4H,3H2,1H3
InChIKey
GHEAJJIVIHBUMK-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 138.9
[M+Na]+ 248.963398 153.3
[M-H]- 224.966904 144.4
[M+NH4]+ 244.008003 161.6
[M+K]+ 264.937338 142.5
[M+H-H2O]+ 208.971440 139.0
[M+HCOO]- 270.972381 158.7
[M+CH3COO]- 284.988031 186.3
[M+Na-2H]- 246.948846 146.1
[M]+ 225.97363142 158.2
[M]- 225.97472858 158.2
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