CID 46737701

1150114-75-2

Structural Information

Molecular Formula

C₉H₁₃BN₂O₂

SMILES

B(C1=CN=C(C=C1)N2CCCC2)(O)O

InChI

InChI=1S/C9H13BN2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7,13-14H,1-2,5-6H2

InChIKey

XRIDMVCUHIKAFT-UHFFFAOYSA-N

Compound name

(6-pyrrolidin-1-ylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 192.10701 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]+	193.11429	142.0
[M+Na]+	215.09623	152.4
[M+NH4]+	210.14083	149.2
[M+K]+	231.07017	149.6
[M-H]-	191.09973	142.9
[M+Na-2H]-	213.08168	147.4
[M]+	192.10646	143.4
[M]-	192.10756	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe