CID 59635701

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1CC1CN2C=C(C=CC2=O)Br

InChI

InChI=1S/C9H10BrNO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2

InChIKey

LYJAMRBVRNCRMA-UHFFFAOYSA-N

Compound name

5-bromo-1-(cyclopropylmethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 226.99458 Da
Monoisotopic Mass: 1.5
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]+	228.00186	133.0
[M+Na]+	249.98380	139.1
[M+NH4]+	245.02840	138.8
[M+K]+	265.95774	139.8
[M-H]-	225.98730	140.4
[M+Na-2H]-	247.96925	140.6
[M]+	226.99403	135.8
[M]-	226.99513	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe