CID 62497988

2-{2-[(5-bromopyridin-2-yl)amino]ethoxy}ethan-1-ol

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
C1=CC(=NC=C1Br)NCCOCCO
InChI
InChI=1S/C9H13BrN2O2/c10-8-1-2-9(12-7-8)11-3-5-14-6-4-13/h1-2,7,13H,3-6H2,(H,11,12)
InChIKey
IZQJINMEYWXPNR-UHFFFAOYSA-N
Compound name
2-[2-[(5-bromo-2-pyridinyl)amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01605 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.023326 147.1
[M+Na]+ 283.005268 156.9
[M-H]- 259.008774 150.4
[M+NH4]+ 278.049873 165.3
[M+K]+ 298.979208 145.5
[M+H-H2O]+ 243.013310 145.5
[M+HCOO]- 305.014251 167.7
[M+CH3COO]- 319.029901 191.3
[M+Na-2H]- 280.990716 155.3
[M]+ 260.01550142 166.5
[M]- 260.01659858 166.5
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.