CID 22559083

(7-aminonaphthalen-2-yl)boronic acid

Structural Information

Molecular Formula

C₁₀H₁₀BNO₂

SMILES

B(C1=CC2=C(C=C1)C=CC(=C2)N)(O)O

InChI

InChI=1S/C10H10BNO2/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,13-14H,12H2

InChIKey

SQGYMYJXNBMXKB-UHFFFAOYSA-N

Compound name

(7-aminonaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 187.08046 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]+	188.087736	136.6
[M+Na]+	210.069678	144.5
[M-H]-	186.073184	138.5
[M+NH4]+	205.114283	155.8
[M+K]+	226.043618	140.9
[M+H-H2O]+	170.077720	131.2
[M+HCOO]-	232.078661	157.3
[M+CH3COO]-	246.094311	180.7
[M+Na-2H]-	208.055126	143.0
[M]+	187.07991142	133.6
[M]-	187.08100858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe