CID 103609

52235-20-8

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CCC(C)(C#N)N=NC(C)(C)C

InChI

InChI=1S/C9H17N3/c1-6-9(5,7-10)12-11-8(2,3)4/h6H2,1-5H3

InChIKey

JZDHUYKBYNFYAB-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)-2-methylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 552
Patents: 167.14224 Da
Monoisotopic Mass: 2.3
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]+	168.14952	143.1
[M+Na]+	190.13146	151.5
[M+NH4]+	185.17606	147.1
[M+K]+	206.10540	143.6
[M-H]-	166.13496	136.3
[M+Na-2H]-	188.11691	144.9
[M]+	167.14169	141.5
[M]-	167.14279	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe