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-bromopyridin-2-yl)oxyethanol
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]+ 232.99202 138.9
[M+Na]+ 254.97396 150.4
[M-H]- 230.97746 142.5
[M+NH4]+ 250.01856 158.2
[M+K]+ 270.94790 139.1
[M+H-H2O]+ 214.98200 137.9
[M+HCOO]- 276.98294 159.5
[M+CH3COO]- 290.99859 186.2
[M+Na-2H]- 252.95941 146.4
[M]+ 231.98419 157.0
[M]- 231.98529 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.