CID 6454365

62221-15-2

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC(C)C1CCC(CC1)CC#N

InChI

InChI=1S/C11H19N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9-11H,3-7H2,1-2H3

InChIKey

MADOTEZDMNLKFB-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylcyclohexyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 165.15175 Da
Monoisotopic Mass: 3.7
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]+	166.159026	137.7
[M+Na]+	188.140968	144.6
[M-H]-	164.144474	140.5
[M+NH4]+	183.185573	156.5
[M+K]+	204.114908	141.9
[M+H-H2O]+	148.149010	126.0
[M+HCOO]-	210.149951	153.5
[M+CH3COO]-	224.165601	194.0
[M+Na-2H]-	186.126416	140.4
[M]+	165.15120142	129.4
[M]-	165.15229858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe