CID 18402457

54556-12-6

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC1CCC(C(C1)C#N)C(C)C

InChI

InChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3

InChIKey

AWVUYKHSNNYPOX-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 165.15175 Da
Monoisotopic Mass: 3.5
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]+	166.159026	136.9
[M+Na]+	188.140968	144.7
[M-H]-	164.144474	140.1
[M+NH4]+	183.185573	156.0
[M+K]+	204.114908	142.1
[M+H-H2O]+	148.149010	125.6
[M+HCOO]-	210.149951	152.7
[M+CH3COO]-	224.165601	195.0
[M+Na-2H]-	186.126416	139.1
[M]+	165.15120142	129.0
[M]-	165.15229858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe