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

11
Patents

187.95853 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 127.5
[M+Na]+ 210.94775 140.0
[M-H]- 186.95125 131.4
[M+NH4]+ 205.99235 148.6
[M+K]+ 226.92169 128.6
[M+H-H2O]+ 170.95579 127.2
[M+HCOO]- 232.95673 148.6
[M+CH3COO]- 246.97238 178.6
[M+Na-2H]- 208.93320 136.1
[M]+ 187.95798 143.6
[M]- 187.95908 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