CID 15688760

Ethyl 1-cyanocyclopentanecarboxylate

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CCOC(=O)C1(CCCC1)C#N

InChI

InChI=1S/C9H13NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h2-6H2,1H3

InChIKey

VPWIERPHIAKPOH-UHFFFAOYSA-N

Compound name

ethyl 1-cyanocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 167.09464 Da
Monoisotopic Mass: 1.8
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]+	168.10192	136.6
[M+Na]+	190.08386	145.2
[M+NH4]+	185.12846	142.2
[M+K]+	206.05780	137.1
[M-H]-	166.08736	129.7
[M+Na-2H]-	188.06931	139.3
[M]+	167.09409	134.9
[M]-	167.09519	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe