CID 56965721

3-amino-6-bromopyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C5H4BrN3O
SMILES
C1=C(N=C(C(=N1)N)C=O)Br
InChI
InChI=1S/C5H4BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
InChIKey
MVAXLZNZPNMCGT-UHFFFAOYSA-N
Compound name
3-amino-6-bromopyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

200.95377 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.96105 128.1
[M+Na]+ 223.94299 141.4
[M-H]- 199.94649 132.1
[M+NH4]+ 218.98759 148.1
[M+K]+ 239.91693 130.3
[M+H-H2O]+ 183.95103 127.1
[M+HCOO]- 245.95197 149.7
[M+CH3COO]- 259.96762 182.7
[M+Na-2H]- 221.92844 137.5
[M]+ 200.95322 146.0
[M]- 200.95432 146.0
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