CID 2795359

[4-(morpholin-4-yl)phenyl]boronic acid

Structural Information

Molecular Formula

C₁₀H₁₄BNO₃

SMILES

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

InChI

InChI=1S/C10H14BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2

InChIKey

WHDIUBHAKZDSJL-UHFFFAOYSA-N

Compound name

(4-morpholin-4-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1136
Patents: 207.10667 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]+	208.113946	144.1
[M+Na]+	230.095888	148.8
[M-H]-	206.099394	146.7
[M+NH4]+	225.140493	158.5
[M+K]+	246.069828	147.5
[M+H-H2O]+	190.103930	136.7
[M+HCOO]-	252.104871	159.7
[M+CH3COO]-	266.120521	179.2
[M+Na-2H]-	228.081336	149.0
[M]+	207.10612142	139.3
[M]-	207.10721858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe