CID 23005412

[4-(cyclopentyloxy)phenyl]boronic acid

Structural Information

Molecular Formula

C₁₁H₁₅BO₃

SMILES

B(C1=CC=C(C=C1)OC2CCCC2)(O)O

InChI

InChI=1S/C11H15BO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2

InChIKey

AAMPOFTVRYFQCX-UHFFFAOYSA-N

Compound name

(4-cyclopentyloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 206.11142 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]+	207.11870	145.7
[M+Na]+	229.10064	155.7
[M+NH4]+	224.14524	153.7
[M+K]+	245.07458	152.4
[M-H]-	205.10414	147.8
[M+Na-2H]-	227.08609	151.1
[M]+	206.11087	147.4
[M]-	206.11197	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe