CID 736273

17999-71-2

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CCOC(=O)C(=CC1=CN=CC=C1)C#N

InChI

InChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3

InChIKey

BMMBXBIFKMYOLF-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-pyridin-3-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 5
Patents: 202.07423 Da
Monoisotopic Mass: 1.4
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]+	203.08151	145.2
[M+Na]+	225.06345	153.7
[M-H]-	201.06695	146.5
[M+NH4]+	220.10805	160.7
[M+K]+	241.03739	151.0
[M+H-H2O]+	185.07149	131.4
[M+HCOO]-	247.07243	163.1
[M+CH3COO]-	261.08808	195.8
[M+Na-2H]-	223.04890	149.4
[M]+	202.07368	141.0
[M]-	202.07478	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe