CID 67973232

1-(5-bromopyridin-2-yl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

C1CC(C1)(C2=NC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14)

InChIKey

OALBQEKDAYWCPU-UHFFFAOYSA-N

Compound name

1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 254.98949 Da
Monoisotopic Mass: 1.9
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]+	255.996766	139.1
[M+Na]+	277.978708	148.7
[M-H]-	253.982214	145.7
[M+NH4]+	273.023313	153.5
[M+K]+	293.952648	141.1
[M+H-H2O]+	237.986750	134.8
[M+HCOO]-	299.987691	156.5
[M+CH3COO]-	314.003341	190.5
[M+Na-2H]-	275.964156	146.6
[M]+	254.98894142	163.9
[M]-	254.99003858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe