CID 89814303

4-(5-bromopyridin-2-yl)butanoic acid

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

C1=CC(=NC=C1Br)CCCC(=O)O

InChI

InChI=1S/C9H10BrNO2/c10-7-4-5-8(11-6-7)2-1-3-9(12)13/h4-6H,1-3H2,(H,12,13)

InChIKey

SXJDAHCGZHDVBA-UHFFFAOYSA-N

Compound name

4-(5-bromopyridin-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 242.98949 Da
Monoisotopic Mass: 1.7
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]+	243.99677	144.4
[M+Na]+	265.97871	147.2
[M+NH4]+	261.02331	148.2
[M+K]+	281.95265	147.6
[M-H]-	241.98221	143.5
[M+Na-2H]-	263.96416	147.1
[M]+	242.98894	143.2
[M]-	242.99004	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe