CID 223257

Ethyl 2-cyano-2-cyclopentylideneacetate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC(=O)C(=C1CCCC1)C#N

InChI

InChI=1S/C10H13NO2/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h2-6H2,1H3

InChIKey

QBQXZJJXLYXGGR-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-cyclopentylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 179.09464 Da
Monoisotopic Mass: 1.9
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]+	180.10192	142.8
[M+Na]+	202.08386	150.4
[M-H]-	178.08736	145.5
[M+NH4]+	197.12846	162.1
[M+K]+	218.05780	147.9
[M+H-H2O]+	162.09190	130.6
[M+HCOO]-	224.09284	160.4
[M+CH3COO]-	238.10849	191.5
[M+Na-2H]-	200.06931	143.9
[M]+	179.09409	136.2
[M]-	179.09519	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe