CID 470901

Dimethyl 5-methylpyrazine-2,3-dicarboxylate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CC1=CN=C(C(=N1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C9H10N2O4/c1-5-4-10-6(8(12)14-2)7(11-5)9(13)15-3/h4H,1-3H3
InChIKey
KZEYJYZKMGTTEY-UHFFFAOYSA-N
Compound name
dimethyl 5-methylpyrazine-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.06406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 141.6
[M+Na]+ 233.05328 151.0
[M-H]- 209.05678 143.3
[M+NH4]+ 228.09788 158.1
[M+K]+ 249.02722 150.7
[M+H-H2O]+ 193.06132 134.4
[M+HCOO]- 255.06226 163.0
[M+CH3COO]- 269.07791 185.9
[M+Na-2H]- 231.03873 146.3
[M]+ 210.06351 146.4
[M]- 210.06461 146.4
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.