CID 101667718

1611464-89-1

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

CN1C=C(C=C(C1=O)OC)Br

InChI

InChI=1S/C7H8BrNO2/c1-9-4-5(8)3-6(11-2)7(9)10/h3-4H,1-2H3

InChIKey

CITZKJYPHATPGA-UHFFFAOYSA-N

Compound name

5-bromo-3-methoxy-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 216.97385 Da
Monoisotopic Mass: 1.0
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]+	217.981126	131.3
[M+Na]+	239.963068	145.5
[M-H]-	215.966574	137.3
[M+NH4]+	235.007673	153.0
[M+K]+	255.937008	135.4
[M+H-H2O]+	199.971110	131.5
[M+HCOO]-	261.972051	153.4
[M+CH3COO]-	275.987701	185.0
[M+Na-2H]-	237.948516	139.8
[M]+	216.97330142	152.8
[M]-	216.97439858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe