CID 64206264

2839143-90-5

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

C1=C(C=NC=C1Br)OCCN

InChI

InChI=1S/C7H9BrN2O/c8-6-3-7(5-10-4-6)11-2-1-9/h3-5H,1-2,9H2

InChIKey

FVMFQZQFCQALJT-UHFFFAOYSA-N

Compound name

2-(5-bromopyridin-3-yl)oxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 215.98982 Da
Monoisotopic Mass: 0.6
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	135.8
[M+Na]+	238.97904	147.0
[M-H]-	214.98254	140.3
[M+NH4]+	234.02364	156.2
[M+K]+	254.95298	136.2
[M+H-H2O]+	198.98708	134.8
[M+HCOO]-	260.98802	157.7
[M+CH3COO]-	275.00367	185.5
[M+Na-2H]-	236.96449	144.6
[M]+	215.98927	154.0
[M]-	215.99037	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe