CID 599037

5-phenyl-1h-pyrazin-2-one

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C2=CNC(=O)C=N2
InChI
InChI=1S/C10H8N2O/c13-10-7-11-9(6-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
BMGVFXUMEAYBAO-UHFFFAOYSA-N
Compound name
5-phenyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

172.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.7
[M+Na]+ 195.05288 142.9
[M-H]- 171.05638 136.7
[M+NH4]+ 190.09748 150.4
[M+K]+ 211.02682 138.5
[M+H-H2O]+ 155.06092 125.7
[M+HCOO]- 217.06186 155.7
[M+CH3COO]- 231.07751 146.8
[M+Na-2H]- 193.03833 142.9
[M]+ 172.06311 131.6
[M]- 172.06421 131.6
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