CID 93079

13472-08-7

Structural Information

Molecular Formula

C₁₀H₁₆N₄

SMILES

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

InChI

InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3

InChIKey

AVTLBBWTUPQRAY-UHFFFAOYSA-N

Compound name

2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 53245
Patents: 192.1375 Da
Monoisotopic Mass: 2.4
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]+	193.14478	173.2
[M+Na]+	215.12672	179.0
[M+NH4]+	210.17132	173.1
[M+K]+	231.10066	169.5
[M-H]-	191.13022	162.3
[M+Na-2H]-	213.11217	170.9
[M]+	192.13695	169.6
[M]-	192.13805	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe