CID 4052036

3532-37-4

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: 15
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]+	194.117556	143.0
[M+Na]+	216.099498	149.3
[M-H]-	192.103004	146.7
[M+NH4]+	211.144103	162.3
[M+K]+	232.073438	148.2
[M+H-H2O]+	176.107540	137.2
[M+HCOO]-	238.108481	166.1
[M+CH3COO]-	252.124131	185.2
[M+Na-2H]-	214.084946	149.9
[M]+	193.10973142	143.8
[M]-	193.11082858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe