CID 2771857

5-bromopyrazine-2,3-diamine

Structural Information

Molecular Formula
C4H5BrN4
SMILES
C1=C(N=C(C(=N1)N)N)Br
InChI
InChI=1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKey
CPYAUFLEMLTQAA-UHFFFAOYSA-N
Compound name
5-bromopyrazine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

187.96976 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.977036 126.7
[M+Na]+ 210.958978 139.2
[M-H]- 186.962484 130.2
[M+NH4]+ 206.003583 146.6
[M+K]+ 226.932918 127.7
[M+H-H2O]+ 170.967020 125.1
[M+HCOO]- 232.967961 148.5
[M+CH3COO]- 246.983611 182.9
[M+Na-2H]- 208.944426 135.7
[M]+ 187.96921142 141.7
[M]- 187.97030858 141.7
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