CID 639965

19312-05-1

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(CO)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,12,14)

InChIKey

PCSOUTBWLVEYRU-UHFFFAOYSA-N

Compound name

N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
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	143.8
[M+Na]+	216.09950	154.0
[M+NH4]+	211.14410	151.1
[M+K]+	232.07344	149.1
[M-H]-	192.10300	144.7
[M+Na-2H]-	214.08495	149.6
[M]+	193.10973	145.3
[M]-	193.11083	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe