CID 58840780

Methyl 3-amino-6-methylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CC1=CN=C(C(=N1)C(=O)OC)N
InChI
InChI=1S/C7H9N3O2/c1-4-3-9-6(8)5(10-4)7(11)12-2/h3H,1-2H3,(H2,8,9)
InChIKey
VFKIJMHDBGWTIH-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-methylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

167.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.7
[M+Na]+ 190.05869 143.1
[M-H]- 166.06219 135.0
[M+NH4]+ 185.10329 151.5
[M+K]+ 206.03263 141.8
[M+H-H2O]+ 150.06673 126.6
[M+HCOO]- 212.06767 156.4
[M+CH3COO]- 226.08332 180.5
[M+Na-2H]- 188.04414 139.7
[M]+ 167.06892 134.4
[M]- 167.07002 134.4
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

patents stripe