CID 4052036

N-(tert-butoxy)benzamide

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(C)ONC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-11(2,3)14-12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)

InChIKey

LQJUQIJUFSHFAS-UHFFFAOYSA-N

Compound name

N-[(2-methylpropan-2-yl)oxy]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.11028 Da
Monoisotopic Mass: 1.1
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]+	194.11756	143.5
[M+Na]+	216.09950	154.3
[M+NH4]+	211.14410	151.2
[M+K]+	232.07344	149.2
[M-H]-	192.10300	145.0
[M+Na-2H]-	214.08495	150.0
[M]+	193.10973	145.4
[M]-	193.11083	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe