CID 4197998

4-cyclopentylbenzeneboronic acid

Structural Information

Molecular Formula

C₁₁H₁₅BO₂

SMILES

B(C1=CC=C(C=C1)C2CCCC2)(O)O

InChI

InChI=1S/C11H15BO2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2

InChIKey

CXQWADWZIYSSDJ-UHFFFAOYSA-N

Compound name

(4-cyclopentylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 190.11652 Da
Monoisotopic Mass: None
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]+	191.12380	141.7
[M+Na]+	213.10574	146.8
[M-H]-	189.10924	145.3
[M+NH4]+	208.15034	161.4
[M+K]+	229.07968	143.8
[M+H-H2O]+	173.11378	135.9
[M+HCOO]-	235.11472	161.1
[M+CH3COO]-	249.13037	176.9
[M+Na-2H]-	211.09119	143.7
[M]+	190.11597	136.8
[M]-	190.11707	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe