CID 11788309

(cyclopentylmethyl)boronic acid

Structural Information

Molecular Formula

C₆H₁₃BO₂

SMILES

B(CC1CCCC1)(O)O

InChI

InChI=1S/C6H13BO2/c8-7(9)5-6-3-1-2-4-6/h6,8-9H,1-5H2

InChIKey

ZCPPSCQFDMXZJK-UHFFFAOYSA-N

Compound name

cyclopentylmethylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 128.10086 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]+	129.10814	128.1
[M+Na]+	151.09008	133.0
[M-H]-	127.09358	128.3
[M+NH4]+	146.13468	150.2
[M+K]+	167.06402	132.0
[M+H-H2O]+	111.09812	123.4
[M+HCOO]-	173.09906	147.5
[M+CH3COO]-	187.11471	165.1
[M+Na-2H]-	149.07553	130.9
[M]+	128.10031	123.3
[M]-	128.10141	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe