CID 44629855

920304-57-0

Structural Information

Molecular Formula

C₁₆H₂₆BNO₂

SMILES

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

InChI

InChI=1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3

InChIKey

WVPMYKCIKQQJIV-UHFFFAOYSA-N

Compound name

N,N-diethyl-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: 86
Patents: 275.20566 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]+	276.21294	162.5
[M+Na]+	298.19488	170.0
[M-H]-	274.19838	172.1
[M+NH4]+	293.23948	182.8
[M+K]+	314.16882	170.9
[M+H-H2O]+	258.20292	157.3
[M+HCOO]-	320.20386	184.0
[M+CH3COO]-	334.21951	206.2
[M+Na-2H]-	296.18033	166.8
[M]+	275.20511	167.1
[M]-	275.20621	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe