CID 2773511

103986-53-4

Structural Information

Molecular Formula

C₁₁H₁₁BO₂

SMILES

B(C1=CC=C(C2=CC=CC=C12)C)(O)O

InChI

InChI=1S/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3

InChIKey

JHVQEUGNYSVSDH-UHFFFAOYSA-N

Compound name

(4-methylnaphthalen-1-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 436
Patents: 186.0852 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]+	187.09248	136.8
[M+Na]+	209.07442	145.2
[M-H]-	185.07792	139.2
[M+NH4]+	204.11902	156.7
[M+K]+	225.04836	141.7
[M+H-H2O]+	169.08246	131.6
[M+HCOO]-	231.08340	156.9
[M+CH3COO]-	245.09905	179.3
[M+Na-2H]-	207.05987	143.5
[M]+	186.08465	135.9
[M]-	186.08575	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe