CID 4089420

Einecs 257-159-6

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(CC1=CC=CC=C1)C(=O)N(C)C

InChI

InChI=1S/C12H17NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3

InChIKey

IAAIMIULTLQXBS-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 191.13101 Da
Monoisotopic Mass: 2.2
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	144.7
[M+Na]+	214.12023	155.9
[M+NH4]+	209.16483	153.1
[M+K]+	230.09417	150.1
[M-H]-	190.12373	147.5
[M+Na-2H]-	212.10568	151.3
[M]+	191.13046	147.0
[M]-	191.13156	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe