CID 105454949

2126176-92-7

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CN1C=C(C(=CC1=O)N)Br

InChI

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

InChIKey

STZOKHLMHZXBIK-UHFFFAOYSA-N

Compound name

4-amino-5-bromo-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.97418 Da
Monoisotopic Mass: -0.2
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	132.4
[M+Na]+	224.96340	136.3
[M+NH4]+	220.00800	137.0
[M+K]+	240.93734	136.8
[M-H]-	200.96690	132.9
[M+Na-2H]-	222.94885	136.1
[M]+	201.97363	131.8
[M]-	201.97473	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.