CID 20505162

5h-pyrrolo[3,4-b]pyridin-7(6h)-one

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1C2=C(C(=O)N1)N=CC=C2
InChI
InChI=1S/C7H6N2O/c10-7-6-5(4-9-7)2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKey
CGULSYWKVCXEHE-UHFFFAOYSA-N
Compound name
5,6-dihydropyrrolo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

134.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 125.0
[M+Na]+ 157.03724 137.4
[M+NH4]+ 152.08184 133.7
[M+K]+ 173.01118 133.2
[M-H]- 133.04074 125.6
[M+Na-2H]- 155.02269 130.7
[M]+ 134.04747 126.7
[M]- 134.04857 126.7
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