CID 222765

Methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1=C(N=C(C(=N1)C(=O)OC)N)C
InChI
InChI=1S/C8H11N3O2/c1-4-5(2)11-7(9)6(10-4)8(12)13-3/h1-3H3,(H2,9,11)
InChIKey
UJVSGFCWQWRGPO-UHFFFAOYSA-N
Compound name
methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

181.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.2
[M+Na]+ 204.07435 148.1
[M-H]- 180.07785 139.7
[M+NH4]+ 199.11895 155.7
[M+K]+ 220.04829 146.6
[M+H-H2O]+ 164.08239 131.1
[M+HCOO]- 226.08333 160.5
[M+CH3COO]- 240.09898 184.8
[M+Na-2H]- 202.05980 142.9
[M]+ 181.08458 139.6
[M]- 181.08568 139.6
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