CID 57931194

936481-95-7

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

CC(C)CC1(CCNCC1)C#N

InChI

InChI=1S/C10H18N2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h9,12H,3-7H2,1-2H3

InChIKey

AXYQZOKOAOGMAZ-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)piperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 166.147 Da
Monoisotopic Mass: 1.5
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]+	167.15428	138.3
[M+Na]+	189.13622	145.1
[M-H]-	165.13972	138.4
[M+NH4]+	184.18082	156.6
[M+K]+	205.11016	141.7
[M+H-H2O]+	149.14426	126.3
[M+HCOO]-	211.14520	151.7
[M+CH3COO]-	225.16085	189.7
[M+Na-2H]-	187.12167	142.5
[M]+	166.14645	128.2
[M]-	166.14755	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe