CID 62292462

(5-bromo-2-methoxypyridin-3-yl)methanamine

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

COC1=C(C=C(C=N1)Br)CN

InChI

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

InChIKey

PKFXUPJXWBPWJR-UHFFFAOYSA-N

Compound name

(5-bromo-2-methoxy-3-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.98982 Da
Monoisotopic Mass: 0.7
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]+	216.997096	135.6
[M+Na]+	238.979038	147.8
[M-H]-	214.982544	140.6
[M+NH4]+	234.023643	156.4
[M+K]+	254.952978	136.9
[M+H-H2O]+	198.987080	134.8
[M+HCOO]-	260.988021	157.6
[M+CH3COO]-	275.003671	186.6
[M+Na-2H]-	236.964486	143.7
[M]+	215.98927142	154.3
[M]-	215.99036858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe