CID 23005359

919496-59-6

Structural Information

Molecular Formula

C₉H₁₄BNO₂

SMILES

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

InChI

InChI=1S/C9H14BNO2/c1-7-6-8(10(12)13)4-5-9(7)11(2)3/h4-6,12-13H,1-3H3

InChIKey

HCWIPDGKOJNTJY-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)-3-methylphenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 179.11176 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]+	180.11904	138.3
[M+Na]+	202.10098	149.4
[M+NH4]+	197.14558	146.2
[M+K]+	218.07492	144.9
[M-H]-	178.10448	140.1
[M+Na-2H]-	200.08643	143.9
[M]+	179.11121	140.2
[M]-	179.11231	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe