CID 349978

Ethyl 2-cyano-3-ethylpent-2-enoate

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCC(=C(C#N)C(=O)OCC)CC

InChI

InChI=1S/C10H15NO2/c1-4-8(5-2)9(7-11)10(12)13-6-3/h4-6H2,1-3H3

InChIKey

OSEDKDYNLMQYJO-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-3-ethylpent-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 181.11028 Da
Monoisotopic Mass: 2.7
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]+	182.11756	141.6
[M+Na]+	204.09950	150.1
[M+NH4]+	199.14410	144.7
[M+K]+	220.07344	142.8
[M-H]-	180.10300	132.9
[M+Na-2H]-	202.08495	141.4
[M]+	181.10973	139.2
[M]-	181.11083	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe