CID 824637

Methyl 3-amino-6-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
COC(=O)C1=NC(=CN=C1N)Cl
InChI
InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKey
JGAJCAJHSHUPGH-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

187.01485 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02213 134.1
[M+Na]+ 210.00407 144.6
[M-H]- 186.00757 135.3
[M+NH4]+ 205.04867 151.9
[M+K]+ 225.97801 141.8
[M+H-H2O]+ 170.01211 127.8
[M+HCOO]- 232.01305 152.5
[M+CH3COO]- 246.02870 181.4
[M+Na-2H]- 207.98952 140.2
[M]+ 187.01430 136.3
[M]- 187.01540 136.3
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