CID 45038753

161282-93-5

Structural Information

Molecular Formula

C₇H₁₃BO₂

SMILES

B(/C=C/C1CCCC1)(O)O

InChI

InChI=1S/C7H13BO2/c9-8(10)6-5-7-3-1-2-4-7/h5-7,9-10H,1-4H2/b6-5+

InChIKey

REDSVDRKHXLRKC-AATRIKPKSA-N

Compound name

[(E)-2-cyclopentylethenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 140.10086 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]+	141.10814	131.6
[M+Na]+	163.09008	139.6
[M+NH4]+	158.13468	139.3
[M+K]+	179.06402	136.7
[M-H]-	139.09358	131.2
[M+Na-2H]-	161.07553	134.2
[M]+	140.10031	132.2
[M]-	140.10141	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe