CID 297061

2-hydroxy-5-phenyl-nicotinonitrile

Structural Information

Molecular Formula
C12H8N2O
SMILES
C1=CC=C(C=C1)C2=CNC(=O)C(=C2)C#N
InChI
InChI=1S/C12H8N2O/c13-7-10-6-11(8-14-12(10)15)9-4-2-1-3-5-9/h1-6,8H,(H,14,15)
InChIKey
PPAIIRSMKNKVOH-UHFFFAOYSA-N
Compound name
2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

196.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07094 144.8
[M+Na]+ 219.05288 156.0
[M-H]- 195.05638 148.0
[M+NH4]+ 214.09748 160.1
[M+K]+ 235.02682 149.9
[M+H-H2O]+ 179.06092 130.9
[M+HCOO]- 241.06186 163.6
[M+CH3COO]- 255.07751 156.2
[M+Na-2H]- 217.03833 151.0
[M]+ 196.06311 138.1
[M]- 196.06421 138.1
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