CID 2734620

214360-73-3

Structural Information

Molecular Formula

C₁₂H₁₈BNO₂

SMILES

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

InChI

InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3

InChIKey

ZANPJXNYBVVNSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3474
Patents: 219.14307 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]+	220.15035	146.2
[M+Na]+	242.13229	158.1
[M+NH4]+	237.17689	157.5
[M+K]+	258.10623	151.1
[M-H]-	218.13579	152.8
[M+Na-2H]-	240.11774	154.6
[M]+	219.14252	150.1
[M]-	219.14362	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe