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

6
Patents

216.94868 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.95596 132.0
[M+Na]+ 239.93790 144.3
[M-H]- 215.94140 134.7
[M+NH4]+ 234.98250 150.5
[M+K]+ 255.91184 133.2
[M+H-H2O]+ 199.94594 130.9
[M+HCOO]- 261.94688 151.4
[M+CH3COO]- 275.96253 183.2
[M+Na-2H]- 237.92335 139.6
[M]+ 216.94813 148.7
[M]- 216.94923 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