CID 46738016

1257648-75-1

Structural Information

Molecular Formula

C₉H₁₃BN₂O₂

SMILES

B(C1=C(N=CC=C1)N2CCCC2)(O)O

InChI

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

InChIKey

ROELQLBROWVGFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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	140.8
[M+Na]+	215.09623	146.7
[M-H]-	191.09973	141.9
[M+NH4]+	210.14083	157.6
[M+K]+	231.07017	144.1
[M+H-H2O]+	175.10427	133.2
[M+HCOO]-	237.10521	158.3
[M+CH3COO]-	251.12086	176.3
[M+Na-2H]-	213.08168	143.8
[M]+	192.10646	136.3
[M]-	192.10756	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe