CID 20505162

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

118
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 124.0
[M+Na]+ 157.03724 133.5
[M-H]- 133.04074 124.8
[M+NH4]+ 152.08184 145.4
[M+K]+ 173.01118 130.5
[M+H-H2O]+ 117.04528 117.7
[M+HCOO]- 179.04622 144.9
[M+CH3COO]- 193.06187 137.8
[M+Na-2H]- 155.02269 131.7
[M]+ 134.04747 121.6
[M]- 134.04857 121.7
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