CID 234887

N-methyl-n-phenylprop-2-enamide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CN(C1=CC=CC=C1)C(=O)C=C

InChI

InChI=1S/C10H11NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h3-8H,1H2,2H3

InChIKey

IZXGMKHVTNJFAA-UHFFFAOYSA-N

Compound name

N-methyl-N-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2028
Patents: 161.08406 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]+	162.091336	133.6
[M+Na]+	184.073278	140.3
[M-H]-	160.076784	138.6
[M+NH4]+	179.117883	154.6
[M+K]+	200.047218	139.3
[M+H-H2O]+	144.081320	127.5
[M+HCOO]-	206.082261	159.1
[M+CH3COO]-	220.097911	183.1
[M+Na-2H]-	182.058726	139.7
[M]+	161.08351142	133.7
[M]-	161.08460858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe