CID 21436680

2-amino-4-bromopyridin-3-ol

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1=CN=C(C(=C1Br)O)N
InChI
InChI=1S/C5H5BrN2O/c6-3-1-2-8-5(7)4(3)9/h1-2,9H,(H2,7,8)
InChIKey
VHVGFRZWGORWHX-UHFFFAOYSA-N
Compound name
2-amino-4-bromopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
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

literature stripe

Patent stripe

patents stripe