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	133.8
[M+Na]+	238.97904	147.9
[M-H]-	214.98254	139.5
[M+NH4]+	234.02364	155.1
[M+K]+	254.95298	136.4
[M+H-H2O]+	198.98708	133.3
[M+HCOO]-	260.98802	155.8
[M+CH3COO]-	275.00367	188.1
[M+Na-2H]-	236.96449	140.5
[M]+	215.98927	152.4
[M]-	215.99037	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe