CID 31232

2-(5-ethyl-2-pyridyl)ethyl acrylate

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCC1=CN=C(C=C1)CCOC(=O)C=C

InChI

InChI=1S/C12H15NO2/c1-3-10-5-6-11(13-9-10)7-8-15-12(14)4-2/h4-6,9H,2-3,7-8H2,1H3

InChIKey

WNNZOJYVMCYPRO-UHFFFAOYSA-N

Compound name

2-(5-ethylpyridin-2-yl)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 205.11028 Da
Monoisotopic Mass: 2.4
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	159.2
[M+NH4]+	223.14410	154.0
[M+K]+	244.07344	152.5
[M-H]-	204.10300	147.6
[M+Na-2H]-	226.08495	152.7
[M]+	205.10973	148.7
[M]-	205.11083	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe