CID 89125

2-ethoxyethyl 2-cyanoacrylate

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CCOCCOC(=O)C(=C)C#N

InChI

InChI=1S/C8H11NO3/c1-3-11-4-5-12-8(10)7(2)6-9/h2-5H2,1H3

InChIKey

IQDPHMACOQAPBQ-UHFFFAOYSA-N

Compound name

2-ethoxyethyl 2-cyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1197
Patents: 169.0739 Da
Monoisotopic Mass: 0.9
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]+	170.08118	136.2
[M+Na]+	192.06312	144.9
[M+NH4]+	187.10772	139.1
[M+K]+	208.03706	137.8
[M-H]-	168.06662	127.3
[M+Na-2H]-	190.04857	136.3
[M]+	169.07335	133.7
[M]-	169.07445	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe