CID 4218930

887352-34-3

Structural Information

Molecular Formula
C5H4BrN3O2
SMILES
C1=C(N=C(C(=N1)N)Br)C(=O)O
InChI
InChI=1S/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKey
ZWJHDIXBWPBYGD-UHFFFAOYSA-N
Compound name
5-amino-6-bromopyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.94868 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.955956 132.0
[M+Na]+ 239.937898 144.3
[M-H]- 215.941404 134.7
[M+NH4]+ 234.982503 150.5
[M+K]+ 255.911838 133.2
[M+H-H2O]+ 199.945940 130.9
[M+HCOO]- 261.946881 151.4
[M+CH3COO]- 275.962531 183.2
[M+Na-2H]- 237.923346 139.6
[M]+ 216.94813142 148.7
[M]- 216.94922858 148.7
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