CID 91298

1-(tert-butylazo)cyclohexanecarbonitrile

Structural Information

Molecular Formula

C₁₁H₁₉N₃

SMILES

CC(C)(C)N=NC1(CCCCC1)C#N

InChI

InChI=1S/C11H19N3/c1-10(2,3)13-14-11(9-12)7-5-4-6-8-11/h4-8H2,1-3H3

InChIKey

QKNQPCLQRXMWJO-UHFFFAOYSA-N

Compound name

1-(tert-butyldiazenyl)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1096
Patents: 193.1579 Da
Monoisotopic Mass: 2.8
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]+	194.16518	149.4
[M+Na]+	216.14712	158.0
[M+NH4]+	211.19172	155.5
[M+K]+	232.12106	147.2
[M-H]-	192.15062	145.0
[M+Na-2H]-	214.13257	153.7
[M]+	193.15735	148.5
[M]-	193.15845	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe