CID 2825195

Maybridge3_004571

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

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

InChI

InChI=1S/C12H15NO/c1-9(2)12(13-10(3)14)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,13,14)

InChIKey

LXLYLKODCRUNIR-UHFFFAOYSA-N

Compound name

N-(2-methyl-1-phenylprop-1-enyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 15
Patents: 189.11537 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]+	190.122646	144.1
[M+Na]+	212.104588	149.3
[M-H]-	188.108094	147.4
[M+NH4]+	207.149193	163.2
[M+K]+	228.078528	147.4
[M+H-H2O]+	172.112630	137.9
[M+HCOO]-	234.113571	166.3
[M+CH3COO]-	248.129221	186.7
[M+Na-2H]-	210.090036	147.2
[M]+	189.11482142	142.3
[M]-	189.11591858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe