CID 140672

20330-45-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(=O)NC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)

InChIKey

RMUYDDKCUZHVHY-UHFFFAOYSA-N

Compound name

N-(4-tert-butylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 360
Patents: 191.13101 Da
Monoisotopic Mass: 3.0
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]+	192.13829	144.8
[M+Na]+	214.12023	156.2
[M+NH4]+	209.16483	152.9
[M+K]+	230.09417	150.5
[M-H]-	190.12373	146.8
[M+Na-2H]-	212.10568	151.2
[M]+	191.13046	147.0
[M]-	191.13156	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe