CID 290550

N-phenethylisobutyramide

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(C)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)

InChIKey

UUJNHTZCROBQHX-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-phenylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 200
Patents: 191.13101 Da
Monoisotopic Mass: 2.5
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	145.2
[M+Na]+	214.12023	156.2
[M+NH4]+	209.16483	153.4
[M+K]+	230.09417	149.8
[M-H]-	190.12373	147.6
[M+Na-2H]-	212.10568	151.6
[M]+	191.13046	147.3
[M]-	191.13156	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe