CID 43819155

1231955-78-4

Structural Information

Molecular Formula

C₁₀H₁₅BN₂O₃

SMILES

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

InChI

InChI=1S/C10H15BN2O3/c1-8-6-9(11(14)15)7-12-10(8)13-2-4-16-5-3-13/h6-7,14-15H,2-5H2,1H3

InChIKey

PTYCDSJIQDOWIQ-UHFFFAOYSA-N

Compound name

(5-methyl-6-morpholin-4-ylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 222.11757 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]+	223.12485	149.5
[M+Na]+	245.10679	161.1
[M+NH4]+	240.15139	156.1
[M+K]+	261.08073	157.0
[M-H]-	221.11029	152.1
[M+Na-2H]-	243.09224	154.5
[M]+	222.11702	151.7
[M]-	222.11812	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe