CID 18521600

3-amino-6-bromopyrazine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

432
Patents

216.94868 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe