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 144.0
[M+Na]+ 239.04272 152.2
[M-H]- 215.04622 147.0
[M+NH4]+ 234.08732 158.6
[M+K]+ 255.01666 149.3
[M+H-H2O]+ 199.05076 135.4
[M+HCOO]- 261.05170 165.1
[M+CH3COO]- 275.06735 183.2
[M+Na-2H]- 237.02817 151.5
[M]+ 216.05295 144.5
[M]- 216.05405 144.5
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.