CID 82418622

5,6-dihydro-1h-pyrrolo[2,3-c]pyridin-7(4h)-one

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CNC(=O)C2=C1C=CN2
InChI
InChI=1S/C7H8N2O/c10-7-6-5(1-3-8-6)2-4-9-7/h1,3,8H,2,4H2,(H,9,10)
InChIKey
XPUKFLRNQGXONK-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 127.1
[M+Na]+ 159.05288 138.0
[M+NH4]+ 154.09748 135.4
[M+K]+ 175.02682 134.3
[M-H]- 135.05638 127.0
[M+Na-2H]- 157.03833 131.2
[M]+ 136.06311 128.3
[M]- 136.06421 128.3
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