CID 2737803

22237-12-3

Structural Information

Molecular Formula

C₇H₁₀BNO₂

SMILES

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

InChI

InChI=1S/C7H10BNO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,9H2,1H3

InChIKey

PLTGUDDQNWJILD-UHFFFAOYSA-N

Compound name

(3-amino-4-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 151.08046 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]+	152.08774	129.6
[M+Na]+	174.06968	140.6
[M+NH4]+	169.11428	137.3
[M+K]+	190.04362	136.3
[M-H]-	150.07318	130.9
[M+Na-2H]-	172.05513	134.9
[M]+	151.07991	131.2
[M]-	151.08101	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe