CID 10998582

1335234-36-0

Structural Information

Molecular Formula

C₁₁H₁₆BNO₃

SMILES

B(C1=CC=C(C=C1)CN2CCOCC2)(O)O

InChI

InChI=1S/C11H16BNO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2

InChIKey

QPFDUULIDNELSE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 389
Patents: 221.12233 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]+	222.12961	149.6
[M+Na]+	244.11155	160.9
[M+NH4]+	239.15615	157.0
[M+K]+	260.08549	156.0
[M-H]-	220.11505	153.0
[M+Na-2H]-	242.09700	155.1
[M]+	221.12178	152.0
[M]-	221.12288	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe