CID 46785395

1485418-43-6

Structural Information

Molecular Formula

C₁₀H₁₆BNO₃

SMILES

B(C1=CC(=C(C=C1)OC)CN(C)C)(O)O

InChI

InChI=1S/C10H16BNO3/c1-12(2)7-8-6-9(11(13)14)4-5-10(8)15-3/h4-6,13-14H,7H2,1-3H3

InChIKey

PFYXGWXCQOINNY-UHFFFAOYSA-N

Compound name

[3-[(dimethylamino)methyl]-4-methoxyphenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.12233 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]+	210.12961	145.2
[M+Na]+	232.11155	151.7
[M-H]-	208.11505	147.8
[M+NH4]+	227.15615	163.4
[M+K]+	248.08549	151.2
[M+H-H2O]+	192.11959	139.2
[M+HCOO]-	254.12053	167.4
[M+CH3COO]-	268.13618	189.3
[M+Na-2H]-	230.09700	148.4
[M]+	209.12178	147.0
[M]-	209.12288	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe