CID 4192665

229009-42-1

Structural Information

Molecular Formula

C₁₁H₁₆BNO₂

SMILES

B(C1=CC=C(C=C1)N2CCCCC2)(O)O

InChI

InChI=1S/C11H16BNO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7,14-15H,1-3,8-9H2

InChIKey

RVJPMWIIBKMWCR-UHFFFAOYSA-N

Compound name

(4-piperidin-1-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 205.12741 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]+	206.13469	145.4
[M+Na]+	228.11663	149.6
[M-H]-	204.12013	147.2
[M+NH4]+	223.16123	161.2
[M+K]+	244.09057	146.5
[M+H-H2O]+	188.12467	138.1
[M+HCOO]-	250.12561	161.4
[M+CH3COO]-	264.14126	180.0
[M+Na-2H]-	226.10208	149.0
[M]+	205.12686	138.9
[M]-	205.12796	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe