CID 3842922

138500-86-4

Structural Information

Molecular Formula

C₁₄H₁₈BNO₂

SMILES

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

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-11(6-8-12)9-10-16/h5-8H,9H2,1-4H3

InChIKey

URWMFRYGXSHPRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 243.14307 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]+	244.15035	148.3
[M+Na]+	266.13229	160.5
[M+NH4]+	261.17689	155.6
[M+K]+	282.10623	150.1
[M-H]-	242.13579	146.5
[M+Na-2H]-	264.11774	154.1
[M]+	243.14252	149.1
[M]-	243.14362	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe