CID 81256

Ethyl cyanocyclohexylideneacetate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCOC(=O)C(=C1CCCCC1)C#N

InChI

InChI=1S/C11H15NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7H2,1H3

InChIKey

PZAJJZJKRVXKCS-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-cyclohexylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 193.11028 Da
Monoisotopic Mass: 2.4
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]+	194.11756	144.6
[M+Na]+	216.09950	151.0
[M-H]-	192.10300	147.1
[M+NH4]+	211.14410	161.8
[M+K]+	232.07344	148.4
[M+H-H2O]+	176.10754	132.5
[M+HCOO]-	238.10848	160.2
[M+CH3COO]-	252.12413	194.5
[M+Na-2H]-	214.08495	146.5
[M]+	193.10973	136.5
[M]-	193.11083	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe