CID 131616252

1802433-36-8

Structural Information

Molecular Formula

C₁₄H₂₂BNO₂

SMILES

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

InChI

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

InChIKey

JKOMPYGMNWSNMU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	153.8
[M+Na]+	270.163578	163.0
[M-H]-	246.167084	162.3
[M+NH4]+	265.208183	174.7
[M+K]+	286.137518	162.5
[M+H-H2O]+	230.171620	149.4
[M+HCOO]-	292.172561	174.9
[M+CH3COO]-	306.188211	197.4
[M+Na-2H]-	268.149026	158.3
[M]+	247.17381142	156.0
[M]-	247.17490858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe