CID 105777

2,2,6,6-tetramethyl-4-piperidinecarbonitrile

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

CC1(CC(CC(N1)(C)C)C#N)C

InChI

InChI=1S/C10H18N2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8,12H,5-6H2,1-4H3

InChIKey

DOKXGFDUBRWFCC-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 166.147 Da
Monoisotopic Mass: 1.2
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	134.6
[M+Na]+	189.13622	144.4
[M-H]-	165.13972	136.0
[M+NH4]+	184.18082	155.5
[M+K]+	205.11016	140.6
[M+H-H2O]+	149.14426	124.2
[M+HCOO]-	211.14520	149.1
[M+CH3COO]-	225.16085	190.8
[M+Na-2H]-	187.12167	140.1
[M]+	166.14645	126.4
[M]-	166.14755	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe