CID 13157363

88745-35-1

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1CC2=CNC(=O)C(=C2C1)C#N
InChI
InChI=1S/C9H8N2O/c10-4-8-7-3-1-2-6(7)5-11-9(8)12/h5H,1-3H2,(H,11,12)
InChIKey
NJOAFTZTUXUNGW-UHFFFAOYSA-N
Compound name
3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06366 Da
Monoisotopic Mass

0.1
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

No patent data available for this compound.