CID 56737724

1004761-68-5

Structural Information

Molecular Formula

C₁₄H₂₂BNO₂

SMILES

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

InChI

InChI=1S/C14H22BNO2/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8H,16H2,1-6H3

InChIKey

SBYDVNRAKVMVMG-UHFFFAOYSA-N

Compound name

2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 247.17436 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]+	248.181636	152.7
[M+Na]+	270.163578	162.9
[M-H]-	246.167084	161.6
[M+NH4]+	265.208183	174.0
[M+K]+	286.137518	162.4
[M+H-H2O]+	230.171620	148.7
[M+HCOO]-	292.172561	173.8
[M+CH3COO]-	306.188211	198.7
[M+Na-2H]-	268.149026	156.8
[M]+	247.17381142	155.4
[M]-	247.17490858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe