CID 3690178

N-(2-methylphenyl)prop-2-enamide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=CC=CC=C1NC(=O)C=C

InChI

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

InChIKey

RULNGIPWAOXQFQ-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 396
Patents: 161.08406 Da
Monoisotopic Mass: 1.5
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]+	162.09134	134.8
[M+Na]+	184.07328	147.0
[M+NH4]+	179.11788	143.2
[M+K]+	200.04722	140.4
[M-H]-	160.07678	137.3
[M+Na-2H]-	182.05873	141.8
[M]+	161.08351	137.1
[M]-	161.08461	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe