CID 12761415

5-(2-furyl)-2(1h)-pyrazinone

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=COC(=C1)C2=CNC(=O)C=N2
InChI
InChI=1S/C8H6N2O2/c11-8-5-9-6(4-10-8)7-2-1-3-12-7/h1-5H,(H,10,11)
InChIKey
UGVAWFFQXFNGDS-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 128.5
[M+Na]+ 185.032138 138.5
[M-H]- 161.035644 132.5
[M+NH4]+ 180.076743 146.2
[M+K]+ 201.006078 136.5
[M+H-H2O]+ 145.040180 121.2
[M+HCOO]- 207.041121 151.2
[M+CH3COO]- 221.056771 142.7
[M+Na-2H]- 183.017586 136.7
[M]+ 162.04237142 128.5
[M]- 162.04346858 128.5
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