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-bromopyridin-2-yl)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]+ 261.02333 147.1
[M+Na]+ 283.00527 156.9
[M-H]- 259.00877 150.4
[M+NH4]+ 278.04987 165.3
[M+K]+ 298.97921 145.5
[M+H-H2O]+ 243.01331 145.5
[M+HCOO]- 305.01425 167.7
[M+CH3COO]- 319.02990 191.3
[M+Na-2H]- 280.99072 155.3
[M]+ 260.01550 166.5
[M]- 260.01660 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.