CID 2762527

178752-79-9

Structural Information

Molecular Formula

C₈H₁₂BNO₂

SMILES

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

InChI

InChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3

InChIKey

YZQQHZXHCXAJAV-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 974
Patents: 165.09612 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]+	166.10340	134.1
[M+Na]+	188.08534	145.0
[M+NH4]+	183.12994	142.1
[M+K]+	204.05928	140.6
[M-H]-	164.08884	135.8
[M+Na-2H]-	186.07079	140.1
[M]+	165.09557	135.9
[M]-	165.09667	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe