CID 124925829

1936135-61-3

Structural Information

Molecular Formula

C₈H₁₀BrNO₂

SMILES

COCCN1C=CC(=CC1=O)Br

InChI

InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3

InChIKey

DIGIWFMOFFHOCA-UHFFFAOYSA-N

Compound name

4-bromo-1-(2-methoxyethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.98949 Da
Monoisotopic Mass: 0.7
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]+	231.99677	136.7
[M+Na]+	253.97871	149.6
[M-H]-	229.98221	142.2
[M+NH4]+	249.02331	157.6
[M+K]+	269.95265	139.3
[M+H-H2O]+	213.98675	136.5
[M+HCOO]-	275.98769	158.5
[M+CH3COO]-	290.00334	186.7
[M+Na-2H]-	251.96416	145.3
[M]+	230.98894	158.2
[M]-	230.99004	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe