CID 46738820

5-bromo-1-isopropylpyridin-2(1h)-one

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC(C)N1C=C(C=CC1=O)Br

InChI

InChI=1S/C8H10BrNO/c1-6(2)10-5-7(9)3-4-8(10)11/h3-6H,1-2H3

InChIKey

ULPBSLPRYWCIDD-UHFFFAOYSA-N

Compound name

5-bromo-1-propan-2-ylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 214.99458 Da
Monoisotopic Mass: 1.6
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]+	216.00186	135.1
[M+Na]+	237.98380	139.4
[M+NH4]+	233.02840	140.0
[M+K]+	253.95774	139.6
[M-H]-	213.98730	135.4
[M+Na-2H]-	235.96925	139.1
[M]+	214.99403	134.6
[M]-	214.99513	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe