CID 46738017

1218790-86-3

Structural Information

Molecular Formula

C₉H₁₃BN₂O₃

SMILES

B(C1=C(N=CC=C1)N2CCOCC2)(O)O

InChI

InChI=1S/C9H13BN2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3,13-14H,4-7H2

InChIKey

SWDPLAALYQOCHB-UHFFFAOYSA-N

Compound name

(2-morpholin-4-ylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 208.10193 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]+	209.10921	144.3
[M+Na]+	231.09115	149.4
[M-H]-	207.09465	145.6
[M+NH4]+	226.13575	157.2
[M+K]+	247.06509	148.1
[M+H-H2O]+	191.09919	136.0
[M+HCOO]-	253.10013	158.9
[M+CH3COO]-	267.11578	179.0
[M+Na-2H]-	229.07660	149.6
[M]+	208.10138	139.7
[M]-	208.10248	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe