CID 100658226

5-(5-methylfuran-2-yl)pyrazin-2-ol

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CC=C(O1)C2=CNC(=O)C=N2
InChI
InChI=1S/C9H8N2O2/c1-6-2-3-8(13-6)7-4-11-9(12)5-10-7/h2-5H,1H3,(H,11,12)
InChIKey
BIGDSEOFQJMJRI-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.2
[M+Na]+ 199.047798 143.8
[M-H]- 175.051304 137.5
[M+NH4]+ 194.092403 150.7
[M+K]+ 215.021738 141.4
[M+H-H2O]+ 159.055840 126.0
[M+HCOO]- 221.056781 155.7
[M+CH3COO]- 235.072431 147.4
[M+Na-2H]- 197.033246 140.1
[M]+ 176.05803142 134.0
[M]- 176.05912858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.