CID 11447227

[5-(dimethylamino)naphthalen-1-yl]boronic acid

Structural Information

Molecular Formula

C₁₂H₁₄BNO₂

SMILES

B(C1=C2C=CC=C(C2=CC=C1)N(C)C)(O)O

InChI

InChI=1S/C12H14BNO2/c1-14(2)12-8-4-5-9-10(12)6-3-7-11(9)13(15)16/h3-8,15-16H,1-2H3

InChIKey

SAYNXCVNUHTVEG-UHFFFAOYSA-N

Compound name

[5-(dimethylamino)naphthalen-1-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 215.11176 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]+	216.11904	145.3
[M+Na]+	238.10098	152.4
[M-H]-	214.10448	148.8
[M+NH4]+	233.14558	164.2
[M+K]+	254.07492	150.1
[M+H-H2O]+	198.10902	139.2
[M+HCOO]-	260.10996	166.5
[M+CH3COO]-	274.12561	190.7
[M+Na-2H]-	236.08643	150.9
[M]+	215.11121	145.2
[M]-	215.11231	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe