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

18
Patents

205.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.8
[M+Na]+ 228.09950 153.3
[M-H]- 204.10300 147.8
[M+NH4]+ 223.14410 163.6
[M+K]+ 244.07344 150.8
[M+H-H2O]+ 188.10754 138.8
[M+HCOO]- 250.10848 168.0
[M+CH3COO]- 264.12413 186.6
[M+Na-2H]- 226.08495 150.6
[M]+ 205.10973 148.5
[M]- 205.11083 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe