CID 16226777

Ethyl cyano(1-cyanocyclopentyl)acetate

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C11H14N2O2/c1-2-15-10(14)9(7-12)11(8-13)5-3-4-6-11/h9H,2-6H2,1H3

InChIKey

OBABJTYJPFDGJW-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.10553 Da
Monoisotopic Mass: 1.5
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]+	207.11281	167.7
[M+Na]+	229.09475	173.7
[M+NH4]+	224.13935	168.6
[M+K]+	245.06869	164.4
[M-H]-	205.09825	156.5
[M+Na-2H]-	227.08020	166.0
[M]+	206.10498	164.1
[M]-	206.10608	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe