CID 91298

Enw9f28osb

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: 1164
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	146.9
[M+Na]+	216.14712	153.8
[M-H]-	192.15062	152.0
[M+NH4]+	211.19172	166.8
[M+K]+	232.12106	152.0
[M+H-H2O]+	176.15516	134.8
[M+HCOO]-	238.15610	166.5
[M+CH3COO]-	252.17175	203.6
[M+Na-2H]-	214.13257	153.7
[M]+	193.15735	139.7
[M]-	193.15845	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe