CID 56972862

1426245-63-7

Structural Information

Molecular Formula

C₁₁H₁₆BNO₃

SMILES

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

InChI

InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3

InChIKey

SPIHCTVLDYDVCE-UHFFFAOYSA-N

Compound name

(3-methyl-4-morpholin-4-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	148.8
[M+Na]+	244.11155	154.0
[M-H]-	220.11505	151.7
[M+NH4]+	239.15615	162.9
[M+K]+	260.08549	152.5
[M+H-H2O]+	204.11959	141.5
[M+HCOO]-	266.12053	164.1
[M+CH3COO]-	280.13618	183.4
[M+Na-2H]-	242.09700	152.5
[M]+	221.12178	144.8
[M]-	221.12288	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe