CID 86762217

4-amino-2-bromopyridin-3-ol

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1=CN=C(C(=C1N)O)Br
InChI
InChI=1S/C5H5BrN2O/c6-5-4(9)3(7)1-2-8-5/h1-2,9H,(H2,7,8)
InChIKey
HPQFFWLPUAAAGR-UHFFFAOYSA-N
Compound name
4-amino-2-bromopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.95853 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.965806 127.5
[M+Na]+ 210.947748 140.0
[M-H]- 186.951254 131.4
[M+NH4]+ 205.992353 148.6
[M+K]+ 226.921688 128.6
[M+H-H2O]+ 170.955790 127.2
[M+HCOO]- 232.956731 148.6
[M+CH3COO]- 246.972381 178.6
[M+Na-2H]- 208.933196 136.1
[M]+ 187.95798142 143.6
[M]- 187.95907858 143.6
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