CID 668187

Ethyl 2-cyano-3-phenylacrylate

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CCOC(=O)/C(=C/C1=CC=CC=C1)/C#N

InChI

InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+

InChIKey

KCDAMWRCUXGACP-DHZHZOJOSA-N

Compound name

ethyl (E)-2-cyano-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2402
Patents: 201.07898 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]+	202.08626	146.9
[M+Na]+	224.06820	158.0
[M+NH4]+	219.11280	150.9
[M+K]+	240.04214	148.8
[M-H]-	200.07170	140.8
[M+Na-2H]-	222.05365	150.1
[M]+	201.07843	145.7
[M]-	201.07953	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe