CID 21828940

Ethyl 5-hydroxypyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CCOC(=O)C1=CNC(=O)C=N1
InChI
InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-9-6(10)4-8-5/h3-4H,2H2,1H3,(H,9,10)
InChIKey
NXLBHIWYUOPXIO-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-1H-pyrazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.0535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.6
[M+Na]+ 191.04272 140.7
[M-H]- 167.04622 131.6
[M+NH4]+ 186.08732 148.8
[M+K]+ 207.01666 138.9
[M+H-H2O]+ 151.05076 124.7
[M+HCOO]- 213.05170 152.8
[M+CH3COO]- 227.06735 173.8
[M+Na-2H]- 189.02817 138.5
[M]+ 168.05295 132.5
[M]- 168.05405 132.5
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