CID 25000008

1067887-42-6

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

CC(C1=C(N=CC(=C1)Br)N)O

InChI

InChI=1S/C7H9BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3,(H2,9,10)

InChIKey

BRGDGUJGSXQUTN-UHFFFAOYSA-N

Compound name

1-(2-amino-5-bromopyridin-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 215.98982 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.99710	137.9
[M+Na]+	238.97904	140.4
[M+NH4]+	234.02364	142.2
[M+K]+	254.95298	141.6
[M-H]-	214.98254	137.9
[M+Na-2H]-	236.96449	140.8
[M]+	215.98927	136.9
[M]-	215.99037	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe