CID 45116893

590401-47-1

Structural Information

Molecular Formula

C₁₁H₁₁BO₂

SMILES

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

InChI

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

InChIKey

WRMHOUYVGICNFF-UHFFFAOYSA-N

Compound name

(1-methylnaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
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	137.6
[M+Na]+	209.07442	151.5
[M+NH4]+	204.11902	146.8
[M+K]+	225.04836	145.0
[M-H]-	185.07792	140.1
[M+Na-2H]-	207.05987	144.4
[M]+	186.08465	140.3
[M]-	186.08575	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe