CID 2736684

19246-04-9

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)C1=CC=CC=C1NC(=O)C

InChI

InChI=1S/C11H15NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13)

InChIKey

PTHQJQDKJOVFRD-UHFFFAOYSA-N

Compound name

N-(2-propan-2-ylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 177.11537 Da
Monoisotopic Mass: 1.7
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]+	178.12265	140.3
[M+Na]+	200.10459	151.9
[M+NH4]+	195.14919	148.6
[M+K]+	216.07853	145.9
[M-H]-	176.10809	142.8
[M+Na-2H]-	198.09004	146.7
[M]+	177.11482	142.5
[M]-	177.11592	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe