CID 2758657

832114-07-5

Structural Information

Molecular Formula

C₁₅H₂₂BNO₃

SMILES

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

InChI

InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(18)17(5)6/h7-10H,1-6H3

InChIKey

CHLGBYJEMLCJJJ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 275.16928 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]+	276.17656	160.0
[M+Na]+	298.15850	168.0
[M-H]-	274.16200	170.0
[M+NH4]+	293.20310	180.2
[M+K]+	314.13244	169.6
[M+H-H2O]+	258.16654	155.3
[M+HCOO]-	320.16748	181.3
[M+CH3COO]-	334.18313	204.8
[M+Na-2H]-	296.14395	164.0
[M]+	275.16873	164.5
[M]-	275.16983	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe