CID 4374259

1315335-14-8

Structural Information

Molecular Formula

C₈H₁₂BNO₂

SMILES

B(C1=CC=CC=C1N(C)C)(O)O

InChI

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

InChIKey

NLTUDNKQUJVGKP-UHFFFAOYSA-N

Compound name

[2-(dimethylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 421
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]+	166.103396	133.5
[M+Na]+	188.085338	140.0
[M-H]-	164.088844	136.1
[M+NH4]+	183.129943	153.2
[M+K]+	204.059278	139.3
[M+H-H2O]+	148.093380	127.8
[M+HCOO]-	210.094321	156.1
[M+CH3COO]-	224.109971	179.9
[M+Na-2H]-	186.070786	138.4
[M]+	165.09557142	132.7
[M]-	165.09666858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe