CID 45054

N-ethyl-2-prop-2-enoxybenzamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCNC(=O)C1=CC=CC=C1OCC=C

InChI

InChI=1S/C12H15NO2/c1-3-9-15-11-8-6-5-7-10(11)12(14)13-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)

InChIKey

JAOYNCHGTPCSOJ-UHFFFAOYSA-N

Compound name

N-ethyl-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.11028 Da
Monoisotopic Mass: 2.0
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]+	206.11756	146.9
[M+Na]+	228.09950	158.2
[M+NH4]+	223.14410	154.3
[M+K]+	244.07344	151.6
[M-H]-	204.10300	148.7
[M+Na-2H]-	226.08495	152.8
[M]+	205.10973	148.8
[M]-	205.11083	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe