CID 97013

Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

C1CCC(CC1)(C#N)N2CCCC2

InChI

InChI=1S/C11H18N2/c12-10-11(6-2-1-3-7-11)13-8-4-5-9-13/h1-9H2

InChIKey

BFONNRLSLNCPJF-UHFFFAOYSA-N

Compound name

1-pyrrolidin-1-ylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 178.147 Da
Monoisotopic Mass: 2.1
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]+	179.15428	145.6
[M+Na]+	201.13622	154.9
[M+NH4]+	196.18082	152.5
[M+K]+	217.11016	144.9
[M-H]-	177.13972	141.2
[M+Na-2H]-	199.12167	149.6
[M]+	178.14645	144.8
[M]-	178.14755	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe