CID 465065

Methyl 5-methylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CN=C(C=N1)C(=O)OC
InChI
InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
InChIKey
CRBOSZMVDHYLJE-UHFFFAOYSA-N
Compound name
methyl 5-methylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

239
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.7
[M+Na]+ 175.04780 142.8
[M+NH4]+ 170.09240 137.1
[M+K]+ 191.02174 137.6
[M-H]- 151.05130 130.0
[M+Na-2H]- 173.03325 136.5
[M]+ 152.05803 131.5
[M]- 152.05913 131.5
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