CID 11550215

878289-40-8

Structural Information

Molecular Formula

C₁₁H₁₆BNO₂

SMILES

B(C1=CC=CC=C1CN2CCCC2)(O)O

InChI

InChI=1S/C11H16BNO2/c14-12(15)11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6,14-15H,3-4,7-9H2

InChIKey

PHKRRMUMVOCZGZ-UHFFFAOYSA-N

Compound name

[2-(pyrrolidin-1-ylmethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	145.7
[M+Na]+	228.11663	150.8
[M-H]-	204.12013	147.9
[M+NH4]+	223.16123	163.4
[M+K]+	244.09057	147.7
[M+H-H2O]+	188.12467	138.8
[M+HCOO]-	250.12561	163.9
[M+CH3COO]-	264.14126	179.5
[M+Na-2H]-	226.10208	147.7
[M]+	205.12686	141.3
[M]-	205.12796	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe