CID 465070

Methyl 5-methoxypyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=NC=C(N=C1)C(=O)OC
InChI
InChI=1S/C7H8N2O3/c1-11-6-4-8-5(3-9-6)7(10)12-2/h3-4H,1-2H3
InChIKey
AZXXFTKAVQJXCU-UHFFFAOYSA-N
Compound name
methyl 5-methoxypyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

160
Patents

168.0535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.6
[M+Na]+ 191.04272 140.8
[M-H]- 167.04622 133.0
[M+NH4]+ 186.08732 149.5
[M+K]+ 207.01666 140.6
[M+H-H2O]+ 151.05076 124.4
[M+HCOO]- 213.05170 154.1
[M+CH3COO]- 227.06735 177.2
[M+Na-2H]- 189.02817 139.1
[M]+ 168.05295 135.1
[M]- 168.05405 135.1
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