CID 64267436

5-phenoxypyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=C(C=C1)OC2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-11(15)9-6-13-10(7-12-9)16-8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKey
NPQJUGUURXSTII-UHFFFAOYSA-N
Compound name
5-phenoxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 145.1
[M+Na]+ 239.04272 159.3
[M+NH4]+ 234.08732 152.0
[M+K]+ 255.01666 153.5
[M-H]- 215.04622 147.1
[M+Na-2H]- 237.02817 154.0
[M]+ 216.05295 147.5
[M]- 216.05405 147.5
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.