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: 187
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]+	216.001856	134.3
[M+Na]+	237.983798	147.1
[M-H]-	213.987304	139.9
[M+NH4]+	233.028403	155.8
[M+K]+	253.957738	136.7
[M+H-H2O]+	197.991840	134.4
[M+HCOO]-	259.992781	154.9
[M+CH3COO]-	274.008431	185.6
[M+Na-2H]-	235.969246	141.7
[M]+	214.99403142	153.8
[M]-	214.99512858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe