CID 137930756

2253640-42-3

Structural Information

Molecular Formula

C₆H₇BrN₂O

SMILES

CC1=C(C=C(C(=O)N1)Br)N

InChI

InChI=1S/C6H7BrN2O/c1-3-5(8)2-4(7)6(10)9-3/h2H,8H2,1H3,(H,9,10)

InChIKey

ILCUPZGVOPXVHF-UHFFFAOYSA-N

Compound name

5-amino-3-bromo-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.97418 Da
Monoisotopic Mass: 0.5
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]+	202.981456	130.8
[M+Na]+	224.963398	144.0
[M-H]-	200.966904	134.9
[M+NH4]+	220.008003	151.6
[M+K]+	240.937338	131.8
[M+H-H2O]+	184.971440	130.5
[M+HCOO]-	246.972381	151.7
[M+CH3COO]-	260.988031	181.8
[M+Na-2H]-	222.948846	138.1
[M]+	201.97363142	146.9
[M]-	201.97472858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe