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-ethyl-2-pyridinyl)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]+	206.117556	145.8
[M+Na]+	228.099498	153.3
[M-H]-	204.103004	147.8
[M+NH4]+	223.144103	163.6
[M+K]+	244.073438	150.8
[M+H-H2O]+	188.107540	138.8
[M+HCOO]-	250.108481	168.0
[M+CH3COO]-	264.124131	186.6
[M+Na-2H]-	226.084946	150.6
[M]+	205.10973142	148.5
[M]-	205.11082858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe