CID 10997650

1130-21-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCOC(=O)C1(CCCCC1)C#N

InChI

InChI=1S/C10H15NO2/c1-2-13-9(12)10(8-11)6-4-3-5-7-10/h2-7H2,1H3

InChIKey

ZCBMUZAFIHZTSW-UHFFFAOYSA-N

Compound name

ethyl 1-cyanocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 181.11028 Da
Monoisotopic Mass: 2.3
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	141.7
[M+Na]+	204.09950	151.0
[M+NH4]+	199.14410	147.4
[M+K]+	220.07344	140.9
[M-H]-	180.10300	135.5
[M+Na-2H]-	202.08495	144.9
[M]+	181.10973	140.3
[M]-	181.11083	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe