CID 907352

108106-97-4

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1CC2=C(C1)NC(=O)C(=C2)C#N
InChI
InChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3H2,(H,11,12)
InChIKey
CNZRRQHIZFDOSX-UHFFFAOYSA-N
Compound name
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

160.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 135.3
[M+Na]+ 183.05288 147.0
[M+NH4]+ 178.09748 140.4
[M+K]+ 199.02682 139.2
[M-H]- 159.05638 129.1
[M+Na-2H]- 181.03833 137.8
[M]+ 160.06311 134.2
[M]- 160.06421 134.2
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