CID 2734327

Cyclopentylboronic acid

Structural Information

Molecular Formula

C₅H₁₁BO₂

SMILES

B(C1CCCC1)(O)O

InChI

InChI=1S/C5H11BO2/c7-6(8)5-3-1-2-4-5/h5,7-8H,1-4H2

InChIKey

VTTDFSNKIMAQTB-UHFFFAOYSA-N

Compound name

cyclopentylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 448
Patents: 114.08521 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]+	115.09249	123.4
[M+Na]+	137.07443	128.8
[M-H]-	113.07793	123.8
[M+NH4]+	132.11903	146.2
[M+K]+	153.04837	128.0
[M+H-H2O]+	97.082470	118.9
[M+HCOO]-	159.08341	143.2
[M+CH3COO]-	173.09906	162.1
[M+Na-2H]-	135.05988	126.8
[M]+	114.08466	118.4
[M]-	114.08576	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe