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

128
Patents

134.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 124.0
[M+Na]+ 157.037238 133.5
[M-H]- 133.040744 124.8
[M+NH4]+ 152.081843 145.4
[M+K]+ 173.011178 130.5
[M+H-H2O]+ 117.045280 117.7
[M+HCOO]- 179.046221 144.9
[M+CH3COO]- 193.061871 137.8
[M+Na-2H]- 155.022686 131.7
[M]+ 134.04747142 121.7
[M]- 134.04856858 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