CID 53217104

248274-04-6

Structural Information

Molecular Formula

C₁₃H₂₀BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN

InChI

InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9,15H2,1-4H3

InChIKey

QHGKJHOITXTFBC-UHFFFAOYSA-N

Compound name

[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 233.1587 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]+	234.165976	150.1
[M+Na]+	256.147918	158.8
[M-H]-	232.151424	158.4
[M+NH4]+	251.192523	171.3
[M+K]+	272.121858	158.6
[M+H-H2O]+	216.155960	145.6
[M+HCOO]-	278.156901	171.5
[M+CH3COO]-	292.172551	193.2
[M+Na-2H]-	254.133366	155.7
[M]+	233.15815142	151.6
[M]-	233.15924858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe