CID 89656384

1446237-41-7

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

CC1=C(C(=O)N(C=C1Br)C)N

InChI

InChI=1S/C7H9BrN2O/c1-4-5(8)3-10(2)7(11)6(4)9/h3H,9H2,1-2H3

InChIKey

ZRVHTJPIAINBHG-UHFFFAOYSA-N

Compound name

3-amino-5-bromo-1,4-dimethylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 215.98982 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]+	216.99710	136.7
[M+Na]+	238.97904	140.7
[M+NH4]+	234.02364	141.1
[M+K]+	254.95298	141.1
[M-H]-	214.98254	137.2
[M+Na-2H]-	236.96449	139.9
[M]+	215.98927	136.2
[M]-	215.99037	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe