CID 21310712

5-amino-3-bromo-2-methoxypyridine

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

COC1=C(C=C(C=N1)N)Br

InChI

InChI=1S/C6H7BrN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3

InChIKey

YWYVVGOHQBANQI-UHFFFAOYSA-N

Compound name

5-bromo-6-methoxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 187
Patents: 201.97418 Da
Monoisotopic Mass: 1.2
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]+	202.98146	131.0
[M+Na]+	224.96340	143.6
[M-H]-	200.96690	136.2
[M+NH4]+	220.00800	152.3
[M+K]+	240.93734	133.0
[M+H-H2O]+	184.97144	130.4
[M+HCOO]-	246.97238	153.3
[M+CH3COO]-	260.98803	183.8
[M+Na-2H]-	222.94885	139.7
[M]+	201.97363	149.3
[M]-	201.97473	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe