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

0
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

No literature data available for this compound.

Patent stripe

patents stripe