CID 3797190

80783-99-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CN(C(=O)C=CC1=CC=CC=C1)OC

InChI

InChI=1S/C11H13NO2/c1-12(14-2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3

InChIKey

PUWLTCZZUOAVPD-UHFFFAOYSA-N

Compound name

N-methoxy-N-methyl-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 191.09464 Da
Monoisotopic Mass: 1.8
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]+	192.101916	141.8
[M+Na]+	214.083858	148.1
[M-H]-	190.087364	146.7
[M+NH4]+	209.128463	161.6
[M+K]+	230.057798	147.4
[M+H-H2O]+	174.091900	135.2
[M+HCOO]-	236.092841	167.2
[M+CH3COO]-	250.108491	187.5
[M+Na-2H]-	212.069306	147.3
[M]+	191.09409142	143.7
[M]-	191.09518858	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe