CID 43616735

Methyl 2-(prop-2-enamido)benzoate

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC(=O)C1=CC=CC=C1NC(=O)C=C

InChI

InChI=1S/C11H11NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h3-7H,1H2,2H3,(H,12,13)

InChIKey

UWPOXRRFZCQGRX-UHFFFAOYSA-N

Compound name

methyl 2-(prop-2-enoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 205.0739 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]+	206.08118	144.8
[M+Na]+	228.06312	155.5
[M+NH4]+	223.10772	151.4
[M+K]+	244.03706	150.4
[M-H]-	204.06662	145.7
[M+Na-2H]-	226.04857	150.0
[M]+	205.07335	146.2
[M]-	205.07445	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe