CID 61228106

2-[(3-amino-5-bromopyridin-2-yl)oxy]ethan-1-ol

Structural Information

Molecular Formula
C7H9BrN2O2
SMILES
C1=C(C=NC(=C1N)OCCO)Br
InChI
InChI=1S/C7H9BrN2O2/c8-5-3-6(9)7(10-4-5)12-2-1-11/h3-4,11H,1-2,9H2
InChIKey
MATRSDBIAZCKRO-UHFFFAOYSA-N
Compound name
2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.992016 138.9
[M+Na]+ 254.973958 150.4
[M-H]- 230.977464 142.5
[M+NH4]+ 250.018563 158.2
[M+K]+ 270.947898 139.1
[M+H-H2O]+ 214.982000 137.9
[M+HCOO]- 276.982941 159.5
[M+CH3COO]- 290.998591 186.2
[M+Na-2H]- 252.959406 146.4
[M]+ 231.98419142 157.0
[M]- 231.98528858 157.0
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

No patent data available for this compound.